ethyl 4-(2-phenoxyethyl)-1-(4-pyrazol-1-ylphenyl)carbonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-(2-phenoxyethyl)-1-(4-pyrazol-1-ylphenyl)carbonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-(2-phenoxyethyl)-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-4-(2-phenoxyethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenoxyethyl)-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate Traditional Name: 4-(2-phenoxyethyl)-1-(4-pyrazol-1-ylbenzoyl)isonipecotic acid ethyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=CC=N3)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=CC=N3)CCOC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4/c1-2-32-25(31)26(15-20-33-23-7-4-3-5-8-23)13-18-28(19-14-26)24(30)21-9-11-22(12-10-21)29-17-6-16-27-29/h3-12,16-17H,2,13-15,18-20H2,1H3