MLS000673878

4-[[4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid

Also Known As: 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|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|4-[[4-[2-cyano-2-[(4-methoxyphenyl)carbamoyl]ethenyl]-2-methoxy-phenoxy]methyl]benzoic Acid

Molecular Formula	C26H22N2O6
Molecular Weight	458.1478 g/mol
LogP	4.52668
Topological Polar Surface Area	117.88 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	9
Exact Mass	458.1478
Monoisotopic Mass	458.1478
Heavy Atoms	34
Complexity	1241.7776

Chemical Identifiers

CAS Number	5906-55-8
SMILES	COC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)OC)/C#N