methyl 3-[[3-[2-cyano-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[3-[2-cyano-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]methyl]benzoate Openeye Name: methyl 3-[[3-[2-cyano-3-(4-methoxyanilino)-3-oxo-prop-1-enyl]indol-1-yl]methyl]benzoate CAS Name: 3-[[3-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-1-indolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate Traditional Name: 3-[[3-[2-cyano-3-keto-3-(p-anisidino)prop-1-enyl]indol-1-yl]methyl]benzoic acid methyl ester Formula: C28H23N3O4 MolecularWeight: 465.49992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC(=C4)C(=O)OC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC(=C4)C(=O)OC)C#N

InChI

InChI=1S/C28H23N3O4/c1-34-24-12-10-23(11-13-24)30-27(32)21(16-29)15-22-18-31(26-9-4-3-8-25(22)26)17-19-6-5-7-20(14-19)28(33)35-2/h3-15,18H,17H2,1-2H3,(H,30,32)