ethyl (3S)-1-(2-ethyl-5-methyl-pyrazol-3-yl)carbonyl-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(2-ethyl-5-methyl-pyrazol-3-yl)carbonyl-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(2-ethyl-5-methyl-pyrazole-3-carbonyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(2-ethyl-5-methyl-3-pyrazolyl)-oxomethyl]-3-[(4-fluorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(2-ethyl-5-methyl-pyrazole-3-carbonyl)-3-(4-fluorobenzyl)nipecotic acid ethyl ester Formula: C22H28FN3O3 MolecularWeight: 401.474423

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)C(=O)N2CCCC(C2)(CC3=CC=C(C=C3)F)C(=O)OCC

Isomeric SMILES

CCN1C(=CC(=N1)C)C(=O)N2CCC[C@@](C2)(CC3=CC=C(C=C3)F)C(=O)OCC

InChI

InChI=1S/C22H28FN3O3/c1-4-26-19(13-16(3)24-26)20(27)25-12-6-11-22(15-25,21(28)29-5-2)14-17-7-9-18(23)10-8-17/h7-10,13H,4-6,11-12,14-15H2,1-3H3/t22-/m0/s1