[5-[(E)-2-cyano-3-[(2-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate

Systemtic Name: [5-[(E)-2-cyano-3-[(2-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate Openeye Name: [5-[(E)-2-cyano-3-(2-methylanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [5-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [5-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [5-[(E)-2-cyano-3-keto-3-(o-toluidino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C=C2)OC)OC(=O)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)/C(=C/C2=CC(=C(C=C2)OC)OC(=O)C3=CC=C(C=C3)OC)/C#N

InChI

InChI=1S/C26H22N2O5/c1-17-6-4-5-7-22(17)28-25(29)20(16-27)14-18-8-13-23(32-3)24(15-18)33-26(30)19-9-11-21(31-2)12-10-19/h4-15H,1-3H3,(H,28,29)/b20-14+