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

Systemtic Name: ethyl 1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate CAS Name: 1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate Traditional Name: 1-[(5-carbethoxy-1H-pyrazol-4-yl)methyl]-4-(2-phenoxyethyl)isonipecotic acid ethyl ester Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)CN2CCC(CC2)(CCOC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)CN2CCC(CC2)(CCOC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H31N3O5/c1-3-29-21(27)20-18(16-24-25-20)17-26-13-10-23(11-14-26,22(28)30-4-2)12-15-31-19-8-6-5-7-9-19/h5-9,16H,3-4,10-15,17H2,1-2H3,(H,24,25)