ethyl 1-[2-(3-chlorophenyl)-4-ethoxy-quinolin-6-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(3-chlorophenyl)-4-ethoxy-quinolin-6-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3-chlorophenyl)-4-ethoxy-quinoline-6-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(3-chlorophenyl)-4-ethoxy-6-quinolinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-chlorophenyl)-4-ethoxyquinoline-6-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-chlorophenyl)-4-ethoxy-quinoline-6-carbonyl]isonipecotic acid ethyl ester Formula: C26H27ClN2O4 MolecularWeight: 466.95658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=NC2=C1C=C(C=C2)C(=O)N3CCC(CC3)C(=O)OCC)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC1=CC(=NC2=C1C=C(C=C2)C(=O)N3CCC(CC3)C(=O)OCC)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H27ClN2O4/c1-3-32-24-16-23(18-6-5-7-20(27)14-18)28-22-9-8-19(15-21(22)24)25(30)29-12-10-17(11-13-29)26(31)33-4-2/h5-9,14-17H,3-4,10-13H2,1-2H3