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

Systemtic Name: ethyl 1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate CAS Name: 1-[(1-ethyl-4-pyrazolyl)methyl]-4-(2-phenoxyethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate Traditional Name: 1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-phenoxyethyl)isonipecotic acid ethyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CN2CCC(CC2)(CCOC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN1C=C(C=N1)CN2CCC(CC2)(CCOC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H31N3O3/c1-3-25-18-19(16-23-25)17-24-13-10-22(11-14-24,21(26)27-4-2)12-15-28-20-8-6-5-7-9-20/h5-9,16,18H,3-4,10-15,17H2,1-2H3