ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-6-ylcarbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-6-ylcarbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(quinoline-6-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(4-fluorophenyl)methyl]-1-[oxo(6-quinolinyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(quinoline-6-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(4-fluorobenzyl)-1-(quinoline-6-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=C(C=C2)N=CC=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC3=C(C=C2)N=CC=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN2O3/c1-2-31-24(30)25(16-18-6-9-21(26)10-7-18)12-4-14-28(17-25)23(29)20-8-11-22-19(15-20)5-3-13-27-22/h3,5-11,13,15H,2,4,12,14,16-17H2,1H3/t25-/m0/s1