[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid [2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid [2-keto-2-[(2S)-2-methylpiperidino]ethyl] ester Formula: C24H23ClN2O3 MolecularWeight: 422.90402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

C[C@H]1CCCCN1C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H23ClN2O3/c1-16-6-4-5-13-27(16)23(28)15-30-24(29)20-14-22(17-9-11-18(25)12-10-17)26-21-8-3-2-7-19(20)21/h2-3,7-12,14,16H,4-6,13,15H2,1H3/t16-/m0/s1