ethyl 3-(2-phenoxyethyl)-1-(2-pyrazol-1-ylethanoyl)piperidine-3-carboxylate

Systemtic Name: ethyl 3-(2-phenoxyethyl)-1-(2-pyrazol-1-ylethanoyl)piperidine-3-carboxylate Openeye Name: ethyl 3-(2-phenoxyethyl)-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylate CAS Name: 1-[1-oxo-2-(1-pyrazolyl)ethyl]-3-(2-phenoxyethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-phenoxyethyl)-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylate Traditional Name: 3-(2-phenoxyethyl)-1-(2-pyrazol-1-ylacetyl)nipecotic acid ethyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CN2C=CC=N2)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)CN2C=CC=N2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4/c1-2-27-20(26)21(11-15-28-18-8-4-3-5-9-18)10-6-13-23(17-21)19(25)16-24-14-7-12-22-24/h3-5,7-9,12,14H,2,6,10-11,13,15-17H2,1H3