3-[[(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid
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![3-[[(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ca063059a5ea4b16bc6beea083759098.png "3-[[(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid")
3-[[(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid
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CAS No:
380475-62-7
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Formula:
C25H19ClN2O5
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Chemical Name:
3-[[(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid
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Synonyms:
MLS001172702;SMR000591281;3-[[(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid;CHEMBL1550429;BDBM61243;cid_1516221;ZINC1438739;STK522684;AKOS001009680;MCULE-9205175446;MLS-0354469.0001;AB00712923-01;3-[[(E)-3-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]-2-cyano-acryloyl]amino]benzoic acid;3-[[(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid;3-[[(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid;3-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyanoprop-2-enoyl]amino}benzoic acid;380475-62-7
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CAS No:
3-[[(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Basic Attributes
462.9 g/mol
462.0982494 g/mol
Computed Properties
Molecular Weight:462.9
XLogP3:5.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:462.0982494
Monoisotopic Mass:462.0982494
Topological Polar Surface Area:109
Heavy Atom Count:33
Complexity:755
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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