ethyl 3-[(4-fluorophenyl)methyl]-1-quinolin-3-ylcarbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(4-fluorophenyl)methyl]-1-quinolin-3-ylcarbonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-[(4-fluorophenyl)methyl]-1-(quinoline-3-carbonyl)piperidine-3-carboxylate CAS Name: 3-[(4-fluorophenyl)methyl]-1-[oxo(3-quinolinyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-fluorophenyl)methyl]-1-(quinoline-3-carbonyl)piperidine-3-carboxylate Traditional Name: 3-(4-fluorobenzyl)-1-(quinoline-3-carbonyl)nipecotic acid ethyl ester Formula: C25H25FN2O3 MolecularWeight: 420.476003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC3=CC=CC=C3N=C2)CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC3=CC=CC=C3N=C2)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN2O3/c1-2-31-24(30)25(15-18-8-10-21(26)11-9-18)12-5-13-28(17-25)23(29)20-14-19-6-3-4-7-22(19)27-16-20/h3-4,6-11,14,16H,2,5,12-13,15,17H2,1H3