4-[[4-[(E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate

Systemtic Name: 4-[[4-[(E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate Openeye Name: 4-[[4-[(E)-2-cyano-3-(4-methylanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate IUPAC Name: 4-[[4-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-2-cyano-3-keto-3-(p-toluidino)prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate Formula: C26H21N2O5- MolecularWeight: 441.45534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)[O-])OC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)[O-])OC)/C#N

InChI

InChI=1S/C26H22N2O5/c1-17-3-10-22(11-4-17)28-25(29)21(15-27)13-19-7-12-23(24(14-19)32-2)33-16-18-5-8-20(9-6-18)26(30)31/h3-14H,16H2,1-2H3,(H,28,29)(H,30,31)/p-1/b21-13+