ethyl (3S)-1-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3,5-dimethyl-1-(o-tolyl)pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[3,5-dimethyl-1-(2-methylphenyl)-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3,5-dimethyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3,5-dimethyl-1-(o-tolyl)pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3C)C

InChI

InChI=1S/C21H27N3O3/c1-5-27-21(26)17-10-8-12-23(13-17)20(25)19-15(3)22-24(16(19)4)18-11-7-6-9-14(18)2/h6-7,9,11,17H,5,8,10,12-13H2,1-4H3/t17-/m0/s1