ethyl 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenethyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenethyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenethyl-piperidine-4-carboxylate CAS Name: 1-[(1,5-dimethyl-4-pyrazolyl)methyl]-4-phenethyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenethylpiperidine-4-carboxylate Traditional Name: 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenethyl-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=C(N(N=C2)C)C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=C(N(N=C2)C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O2/c1-4-27-21(26)22(11-10-19-8-6-5-7-9-19)12-14-25(15-13-22)17-20-16-23-24(3)18(20)2/h5-9,16H,4,10-15,17H2,1-3H3