ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(1-methyl-4-oxidanylidene-quinolin-3-yl)carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(1-methyl-4-oxidanylidene-quinolin-3-yl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(1-methyl-4-oxo-quinoline-3-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methyl-4-oxo-3-quinolinyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(1-methyl-4-oxoquinoline-3-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(4-fluorobenzyl)-1-(4-keto-1-methyl-quinoline-3-carbonyl)nipecotic acid ethyl ester Formula: C26H27FN2O4 MolecularWeight: 450.501983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CN(C3=CC=CC=C3C2=O)C)CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CN(C3=CC=CC=C3C2=O)C)CC4=CC=C(C=C4)F

InChI

InChI=1S/C26H27FN2O4/c1-3-33-25(32)26(15-18-9-11-19(27)12-10-18)13-6-14-29(17-26)24(31)21-16-28(2)22-8-5-4-7-20(22)23(21)30/h4-5,7-12,16H,3,6,13-15,17H2,1-2H3/t26-/m0/s1