ethyl 4-(2-phenoxyethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(2-phenoxyethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(2-phenoxyethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylate CAS Name: 4-(2-phenoxyethyl)-1-[(1-phenyl-4-pyrazolyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenoxyethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylate Traditional Name: 4-(2-phenoxyethyl)-1-[(1-phenylpyrazol-4-yl)methyl]isonipecotic acid ethyl ester Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CN(N=C2)C3=CC=CC=C3)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CN(N=C2)C3=CC=CC=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O3/c1-2-31-25(30)26(15-18-32-24-11-7-4-8-12-24)13-16-28(17-14-26)20-22-19-27-29(21-22)23-9-5-3-6-10-23/h3-12,19,21H,2,13-18,20H2,1H3