ethyl (3R)-3-[(4-fluorophenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-3-[(4-fluorophenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)piperidine-3-carboxylate Openeye Name: ethyl (3R)-3-[(4-fluorophenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)piperidine-3-carboxylate CAS Name: (3R)-3-[(4-fluorophenyl)methyl]-1-[1-oxo-3-(1-pyrazolyl)propyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(4-fluorophenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)piperidine-3-carboxylate Traditional Name: (3R)-3-(4-fluorobenzyl)-1-(3-pyrazol-1-ylpropanoyl)nipecotic acid ethyl ester Formula: C21H26FN3O3 MolecularWeight: 387.447843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCN2C=CC=N2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)[C@]1(CCCN(C1)C(=O)CCN2C=CC=N2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O3/c1-2-28-20(27)21(15-17-5-7-18(22)8-6-17)10-3-12-24(16-21)19(26)9-14-25-13-4-11-23-25/h4-8,11,13H,2-3,9-10,12,14-16H2,1H3/t21-/m1/s1