ethyl 3-[(4-fluorophenyl)methyl]-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(4-fluorophenyl)methyl]-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(4-fluorophenyl)methyl]-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidine-3-carboxylate CAS Name: 3-[(4-fluorophenyl)methyl]-1-[3-(1-methyl-4-pyrazolyl)-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-fluorophenyl)methyl]-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidine-3-carboxylate Traditional Name: 3-(4-fluorobenzyl)-1-[3-(1-methylpyrazol-4-yl)propanoyl]nipecotic acid ethyl ester Formula: C22H28FN3O3 MolecularWeight: 401.474423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCC2=CN(N=C2)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)CCC2=CN(N=C2)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O3/c1-3-29-21(28)22(13-17-5-8-19(23)9-6-17)11-4-12-26(16-22)20(27)10-7-18-14-24-25(2)15-18/h5-6,8-9,14-15H,3-4,7,10-13,16H2,1-2H3