ethyl (3R)-3-[(4-fluorophenyl)methyl]-1-(2-methylpyrazol-3-yl)carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-3-[(4-fluorophenyl)methyl]-1-(2-methylpyrazol-3-yl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3R)-3-[(4-fluorophenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate CAS Name: (3R)-3-[(4-fluorophenyl)methyl]-1-[(2-methyl-3-pyrazolyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(4-fluorophenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate Traditional Name: (3R)-3-(4-fluorobenzyl)-1-(2-methylpyrazole-3-carbonyl)nipecotic acid ethyl ester Formula: C20H24FN3O3 MolecularWeight: 373.421263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=NN2C)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)[C@]1(CCCN(C1)C(=O)C2=CC=NN2C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3O3/c1-3-27-19(26)20(13-15-5-7-16(21)8-6-15)10-4-12-24(14-20)18(25)17-9-11-22-23(17)2/h5-9,11H,3-4,10,12-14H2,1-2H3/t20-/m1/s1