[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-methyl-cinchoninic acid [2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl] ester Formula: C33H27ClN2O4 MolecularWeight: 551.03148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC(=CC=C5)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC(=CC=C5)Cl)C

InChI

InChI=1S/C33H27ClN2O4/c1-20-16-17-28(39-3)27(18-20)36-32(37)31(22-10-5-4-6-11-22)40-33(38)29-21(2)30(23-12-9-13-24(34)19-23)35-26-15-8-7-14-25(26)29/h4-19,31H,1-3H3,(H,36,37)