ethyl (3S)-1-[2-(4-chlorophenyl)quinolin-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(4-chlorophenyl)quinolin-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[2-(4-chlorophenyl)-4-quinolinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(4-chlorophenyl)quinoline-4-carbonyl]nipecotic acid ethyl ester Formula: C24H23ClN2O3 MolecularWeight: 422.90402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H23ClN2O3/c1-2-30-24(29)17-6-5-13-27(15-17)23(28)20-14-22(16-9-11-18(25)12-10-16)26-21-8-4-3-7-19(20)21/h3-4,7-12,14,17H,2,5-6,13,15H2,1H3/t17-/m0/s1