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

Systemtic Name: ethyl (3S)-1-[2-(4-methylphenyl)quinolin-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(p-tolyl)quinoline-4-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(p-tolyl)quinoline-4-carbonyl]nipecotic acid ethyl ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3/c1-3-30-25(29)19-7-6-14-27(16-19)24(28)21-15-23(18-12-10-17(2)11-13-18)26-22-9-5-4-8-20(21)22/h4-5,8-13,15,19H,3,6-7,14,16H2,1-2H3/t19-/m0/s1