ethyl 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl 3-benzyl-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxylate CAS Name: 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxylate Traditional Name: 3-benzyl-1-[(5-methyl-1H-pyrazol-3-yl)methyl]nipecotic acid ethyl ester Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=NNC(=C2)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)CC2=NNC(=C2)C)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O2/c1-3-25-19(24)20(13-17-8-5-4-6-9-17)10-7-11-23(15-20)14-18-12-16(2)21-22-18/h4-6,8-9,12H,3,7,10-11,13-15H2,1-2H3,(H,21,22)