[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylquinoline-4-carboxylate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylquinoline-4-carboxylate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C26H22N2O3 MolecularWeight: 410.46448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O3/c1-17-9-8-12-20(15-17)27-25(29)18(2)31-26(30)22-16-24(19-10-4-3-5-11-19)28-23-14-7-6-13-21(22)23/h3-16,18H,1-2H3,(H,27,29)/t18-/m0/s1