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

Systemtic Name: ethyl (3S)-1-[(5-cyclopropyl-1H-pyrazol-3-yl)carbonyl]-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(5-cyclopropyl-1H-pyrazol-3-yl)-oxomethyl]-3-[(4-fluorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-3-(4-fluorobenzyl)nipecotic acid ethyl ester Formula: C22H26FN3O3 MolecularWeight: 399.458543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=NNC(=C2)C3CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=NNC(=C2)C3CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H26FN3O3/c1-2-29-21(28)22(13-15-4-8-17(23)9-5-15)10-3-11-26(14-22)20(27)19-12-18(24-25-19)16-6-7-16/h4-5,8-9,12,16H,2-3,6-7,10-11,13-14H2,1H3,(H,24,25)/t22-/m0/s1