4-[[4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid
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![4-[[4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7c5847ac7f3c4aea9371ace77dff8646.png "4-[[4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid")
4-[[4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid
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CAS No:
5906-55-8
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Formula:
C26H22N2O6
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Chemical Name:
4-[[4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid
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Synonyms:
MLS000673878;SMR000297926;4-[[4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid;4-[(4-{2-cyano-3-[(4-methoxyphenyl)amino]-3-oxo-1-propen-1-yl}-2-methoxyphenoxy)methyl]benzoic acid;CHEMBL1538387;BDBM82795;cid_2208545;CHEBI:107452;HMS2599N03;ZINC6645309;STK083414;AKOS000332996;4-[(4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid;4-[[4-[(Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoic acid;4-[[4-[(Z)-2-cyano-3-keto-3-(p-anisidino)prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoic acid;5906-55-8
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CAS No:
Description
4-[[4-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid is a member of cinnamamides and a secondary carboxamide.
4-[[4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid Basic Attributes
458.5 g/mol
458.14778643 g/mol
Computed Properties
Molecular Weight:458.5
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:458.14778643
Monoisotopic Mass:458.14778643
Topological Polar Surface Area:118
Heavy Atom Count:34
Complexity:759
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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