[2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxo-1-phenylethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C27H29NO6 MolecularWeight: 463.52226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CCC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CCC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C27H29NO6/c1-18-10-13-21(14-11-18)28-27(30)25(20-8-6-5-7-9-20)34-24(29)15-12-19-16-22(31-2)26(33-4)23(17-19)32-3/h5-11,13-14,16-17,25H,12,15H2,1-4H3,(H,28,30)