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

Systemtic Name: ethyl (3S)-3-(2-phenoxyethyl)-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-(2-phenoxyethyl)-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylate CAS Name: (3S)-3-(2-phenoxyethyl)-1-[3-(1-pyrazolyl)propyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-(2-phenoxyethyl)-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(2-phenoxyethyl)-1-(3-pyrazol-1-ylpropyl)nipecotic acid ethyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CCCN2C=CC=N2)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)CCCN2C=CC=N2)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O3/c1-2-27-21(26)22(12-18-28-20-9-4-3-5-10-20)11-6-14-24(19-22)15-8-17-25-16-7-13-23-25/h3-5,7,9-10,13,16H,2,6,8,11-12,14-15,17-19H2,1H3/t22-/m0/s1