[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 7-chloranyl-8-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 7-chloranyl-8-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 7-chloro-8-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 7-chloro-8-methyl-2-phenyl-4-quinolinecarboxylic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 7-chloro-8-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 7-chloro-8-methyl-2-phenyl-cinchoninic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C27H22ClNO3 MolecularWeight: 443.92148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22ClNO3/c1-16-9-11-20(12-10-16)26(30)18(3)32-27(31)22-15-24(19-7-5-4-6-8-19)29-25-17(2)23(28)14-13-21(22)25/h4-15,18H,1-3H3/t18-/m0/s1