[(2S)-1-oxidanylidene-1-phenyl-propan-2-yl] 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenyl-propan-2-yl] 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-phenyl-ethyl] 3-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [(2S)-1-oxo-1-phenylpropan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-phenylpropan-2-yl] 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 3-methyl-2-(p-tolyl)cinchoninic acid [(1S)-2-keto-1-methyl-2-phenyl-ethyl] ester Formula: C27H23NO3 MolecularWeight: 409.47642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)OC(C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)O[C@@H](C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H23NO3/c1-17-13-15-20(16-14-17)25-18(2)24(22-11-7-8-12-23(22)28-25)27(30)31-19(3)26(29)21-9-5-4-6-10-21/h4-16,19H,1-3H3/t19-/m0/s1