ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(1H-imidazol-5-ylcarbonyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(1H-imidazol-5-ylcarbonyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(1H-imidazole-5-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(2-fluorophenyl)methyl]-1-[1H-imidazol-5-yl(oxo)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(1H-imidazole-5-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(2-fluorobenzyl)-1-(1H-imidazole-5-carbonyl)nipecotic acid ethyl ester Formula: C19H22FN3O3 MolecularWeight: 359.394683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CN=CN2)CC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CN=CN2)CC3=CC=CC=C3F

InChI

InChI=1S/C19H22FN3O3/c1-2-26-18(25)19(10-14-6-3-4-7-15(14)20)8-5-9-23(12-19)17(24)16-11-21-13-22-16/h3-4,6-7,11,13H,2,5,8-10,12H2,1H3,(H,21,22)/t19-/m0/s1