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

Systemtic Name: [(2S)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [(1S)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-methyl-cinchoninic acid [(1S)-2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C27H22ClNO4 MolecularWeight: 459.92088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OC(C)C(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)O[C@@H](C)C(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H22ClNO4/c1-16-24(27(31)33-17(2)26(30)18-11-13-21(32-3)14-12-18)22-9-4-5-10-23(22)29-25(16)19-7-6-8-20(28)15-19/h4-15,17H,1-3H3/t17-/m0/s1