[(2S)-1-oxidanylidene-1-phenyl-butan-2-yl] 2-(4-chlorophenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenyl-butan-2-yl] 2-(4-chlorophenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [(1S)-1-benzoylpropyl] 2-(4-chlorophenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-8-methyl-4-quinolinecarboxylic acid [(2S)-1-oxo-1-phenylbutan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-phenylbutan-2-yl] 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)-8-methyl-cinchoninic acid [(1S)-1-benzoylpropyl] ester Formula: C27H22ClNO3 MolecularWeight: 443.92148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22ClNO3/c1-3-24(26(30)19-9-5-4-6-10-19)32-27(31)22-16-23(18-12-14-20(28)15-13-18)29-25-17(2)8-7-11-21(22)25/h4-16,24H,3H2,1-2H3/t24-/m0/s1