ethyl 1-(8-fluoranylquinolin-2-yl)carbonyl-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-(8-fluoranylquinolin-2-yl)carbonyl-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(4-fluorophenyl)methyl]-1-(8-fluoroquinoline-2-carbonyl)piperidine-3-carboxylate CAS Name: 3-[(4-fluorophenyl)methyl]-1-[(8-fluoro-2-quinolinyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-fluorophenyl)methyl]-1-(8-fluoroquinoline-2-carbonyl)piperidine-3-carboxylate Traditional Name: 3-(4-fluorobenzyl)-1-(8-fluoroquinoline-2-carbonyl)nipecotic acid ethyl ester Formula: C25H24F2N2O3 MolecularWeight: 438.466466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=NC3=C(C=CC=C3F)C=C2)CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=NC3=C(C=CC=C3F)C=C2)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H24F2N2O3/c1-2-32-24(31)25(15-17-7-10-19(26)11-8-17)13-4-14-29(16-25)23(30)21-12-9-18-5-3-6-20(27)22(18)28-21/h3,5-12H,2,4,13-16H2,1H3