ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(2-methylpyrazol-3-yl)carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(2-methylpyrazol-3-yl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(2-methylpyrazole-3-carbonyl)-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(2-methylphenyl)methyl]-1-[(2-methyl-3-pyrazolyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(2-methylbenzyl)-1-(2-methylpyrazole-3-carbonyl)nipecotic acid ethyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=NN2C)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC=NN2C)CC3=CC=CC=C3C

InChI

InChI=1S/C21H27N3O3/c1-4-27-20(26)21(14-17-9-6-5-8-16(17)2)11-7-13-24(15-21)19(25)18-10-12-22-23(18)3/h5-6,8-10,12H,4,7,11,13-15H2,1-3H3/t21-/m0/s1