3-[[(E)-3-(4-benzoyloxy-3-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid
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![3-[[(E)-3-(4-benzoyloxy-3-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9b738de29dae43e2a32e4fe087464ffb.png "3-[[(E)-3-(4-benzoyloxy-3-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid")
3-[[(E)-3-(4-benzoyloxy-3-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid
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CAS No:
380475-39-8
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Formula:
C26H20N2O6
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Chemical Name:
3-[[(E)-3-(4-benzoyloxy-3-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid
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Synonyms:
3-{[(2E)-2-cyano-3-{3-ethoxy-4-[(phenylcarbonyl)oxy]phenyl}prop-2-enoyl]amino}benzoic acid;380475-39-8;ZINC1438751;STL383464;AKOS001009756;3-[[(E)-3-(4-benzoyloxy-3-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid;ST082788;3-[(2E)-2-cyano-3-(3-ethoxy-4-phenylcarbonyloxyphenyl)prop-2-enoylamino]benzoi c acid
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CAS No:
3-[[(E)-3-(4-benzoyloxy-3-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Basic Attributes
456.4 g/mol
456.13213636 g/mol
Computed Properties
Molecular Weight:456.4
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:456.13213636
Monoisotopic Mass:456.13213636
Topological Polar Surface Area:126
Heavy Atom Count:34
Complexity:809
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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