ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(3-methoxyphenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxylate Traditional Name: (3S)-3-m-anisyl-1-(1H-pyrazol-5-ylmethyl)nipecotic acid ethyl ester Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=CC=NN2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)CC2=CC=NN2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H27N3O3/c1-3-26-19(24)20(13-16-6-4-7-18(12-16)25-2)9-5-11-23(15-20)14-17-8-10-21-22-17/h4,6-8,10,12H,3,5,9,11,13-15H2,1-2H3,(H,21,22)/t20-/m0/s1