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

Systemtic Name: ethyl 1-[(1-methylpyrazol-4-yl)methyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(1-methylpyrazol-4-yl)methyl]-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-methylpyrazol-4-yl)methyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CN(N=C2)C)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CN(N=C2)C)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O2/c1-3-27-21(26)22(11-7-10-19-8-5-4-6-9-19)12-14-25(15-13-22)18-20-16-23-24(2)17-20/h4-6,8-9,16-17H,3,7,10-15,18H2,1-2H3