ethyl (3S)-1-[(3-ethanoyl-1H-pyrazol-5-yl)carbonyl]-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(3-ethanoyl-1H-pyrazol-5-yl)carbonyl]-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(3-acetyl-1H-pyrazole-5-carbonyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(3-acetyl-1H-pyrazol-5-yl)-oxomethyl]-3-[(4-fluorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(3-acetyl-1H-pyrazole-5-carbonyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(3-acetyl-1H-pyrazole-5-carbonyl)-3-(4-fluorobenzyl)nipecotic acid ethyl ester Formula: C21H24FN3O4 MolecularWeight: 401.431363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC(=NN2)C(=O)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC(=NN2)C(=O)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O4/c1-3-29-20(28)21(12-15-5-7-16(22)8-6-15)9-4-10-25(13-21)19(27)18-11-17(14(2)26)23-24-18/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H,23,24)/t21-/m0/s1