ethyl 1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate CAS Name: 1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-phenoxyethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate Traditional Name: 1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-phenoxyethyl)isonipecotic acid ethyl ester Formula: C26H30FN3O3 MolecularWeight: 451.533103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=C(NN=C2)C3=CC(=CC=C3)F)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=C(NN=C2)C3=CC(=CC=C3)F)CCOC4=CC=CC=C4

InChI

InChI=1S/C26H30FN3O3/c1-2-32-25(31)26(13-16-33-23-9-4-3-5-10-23)11-14-30(15-12-26)19-21-18-28-29-24(21)20-7-6-8-22(27)17-20/h3-10,17-18H,2,11-16,19H2,1H3,(H,28,29)