[(2R)-1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate

Systemtic Name: [(2R)-1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: [(1R)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [(1R)-2-(4-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H16ClNO3 MolecularWeight: 353.79894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)O[C@H](C)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H16ClNO3/c1-12-11-17(16-5-3-4-6-18(16)22-12)20(24)25-13(2)19(23)14-7-9-15(21)10-8-14/h3-11,13H,1-2H3/t13-/m1/s1