ethyl (3S)-3-(2-phenoxyethyl)-1-(3-pyrazol-1-ylpropanoyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-(2-phenoxyethyl)-1-(3-pyrazol-1-ylpropanoyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-(2-phenoxyethyl)-1-(3-pyrazol-1-ylpropanoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[1-oxo-3-(1-pyrazolyl)propyl]-3-(2-phenoxyethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-(2-phenoxyethyl)-1-(3-pyrazol-1-ylpropanoyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(2-phenoxyethyl)-1-(3-pyrazol-1-ylpropanoyl)nipecotic acid ethyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCN2C=CC=N2)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CCN2C=CC=N2)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O4/c1-2-28-21(27)22(12-17-29-19-8-4-3-5-9-19)11-6-14-24(18-22)20(26)10-16-25-15-7-13-23-25/h3-5,7-9,13,15H,2,6,10-12,14,16-18H2,1H3/t22-/m0/s1