ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-(o-tolylmethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(2-methylphenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(2-methylbenzyl)-1-(1H-pyrazol-5-ylmethyl)nipecotic acid ethyl ester Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=CC=NN2)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)CC2=CC=NN2)CC3=CC=CC=C3C

InChI

InChI=1S/C20H27N3O2/c1-3-25-19(24)20(13-17-8-5-4-7-16(17)2)10-6-12-23(15-20)14-18-9-11-21-22-18/h4-5,7-9,11H,3,6,10,12-15H2,1-2H3,(H,21,22)/t20-/m0/s1