[2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxo-1-phenylethyl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C27H22N2O3 MolecularWeight: 422.47518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C=CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)/C=C/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H22N2O3/c1-19-11-14-23(15-12-19)29-27(31)26(21-8-3-2-4-9-21)32-25(30)18-17-22-16-13-20-7-5-6-10-24(20)28-22/h2-18,26H,1H3,(H,29,31)/b18-17+