ethyl 1-[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-(3,4-dimethylphenyl)-4-quinolinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]nipecotic acid ethyl ester Formula: C26H28N2O3 MolecularWeight: 416.51212

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O3/c1-4-31-26(30)20-8-7-13-28(16-20)25(29)22-15-24(19-12-11-17(2)18(3)14-19)27-23-10-6-5-9-21(22)23/h5-6,9-12,14-15,20H,4,7-8,13,16H2,1-3H3