ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CCCN2C=CC=N2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)CCCN2C=CC=N2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H31N3O3/c1-3-28-21(26)22(17-19-8-4-9-20(16-19)27-2)10-5-12-24(18-22)13-7-15-25-14-6-11-23-25/h4,6,8-9,11,14,16H,3,5,7,10,12-13,15,17-18H2,1-2H3/t22-/m0/s1