3-[[(E)-2-cyano-3-[3-[(4-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid
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![3-[[(E)-2-cyano-3-[3-[(4-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/50b8b3ca12004a41989ae74687032d2d.png "3-[[(E)-2-cyano-3-[3-[(4-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid")
3-[[(E)-2-cyano-3-[3-[(4-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid
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CAS No:
380475-63-8
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Formula:
C25H20N2O4
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Chemical Name:
3-[[(E)-2-cyano-3-[3-[(4-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid
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Synonyms:
3-((2E)-2-cyano-3-{3-[(4-methylphenyl)methoxy]phenyl}prop-2-enoylamino)benzoic acid;ZINC1438733;STK522680;AKOS001009681;MCULE-2060057897;3-[[(E)-2-cyano-3-[3-[(4-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid;ST082806;3-{[(2E)-2-cyano-3-{3-[(4-methylbenzyl)oxy]phenyl}prop-2-enoyl]amino}benzoic acid;380475-63-8
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CAS No:
3-[[(E)-2-cyano-3-[3-[(4-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid Basic Attributes
412.4 g/mol
412.14230712 g/mol
Computed Properties
Molecular Weight:412.4
XLogP3:5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:412.14230712
Monoisotopic Mass:412.14230712
Topological Polar Surface Area:99.4
Heavy Atom Count:31
Complexity:702
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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