ethyl 4-(2-phenoxyethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-(2-phenoxyethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-(2-phenoxyethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxylate CAS Name: 4-(2-phenoxyethyl)-1-(1H-pyrazol-5-ylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenoxyethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxylate Traditional Name: 4-(2-phenoxyethyl)-1-(1H-pyrazol-5-ylmethyl)isonipecotic acid ethyl ester Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=NN2)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=NN2)CCOC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O3/c1-2-25-19(24)20(11-15-26-18-6-4-3-5-7-18)9-13-23(14-10-20)16-17-8-12-21-22-17/h3-8,12H,2,9-11,13-16H2,1H3,(H,21,22)