[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-methyl-cinchoninic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C26H27ClN2O3 MolecularWeight: 450.95718

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl)C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl)C)C

InChI

InChI=1S/C26H27ClN2O3/c1-16-11-17(2)14-29(13-16)23(30)15-32-26(31)24-18(3)25(19-7-6-8-20(27)12-19)28-22-10-5-4-9-21(22)24/h4-10,12,16-17H,11,13-15H2,1-3H3