ethyl (3R)-1-[(3-ethanoyl-1H-pyrazol-5-yl)carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(3-ethanoyl-1H-pyrazol-5-yl)carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-(3-acetyl-1H-pyrazole-5-carbonyl)-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: (3R)-1-[(3-acetyl-1H-pyrazol-5-yl)-oxomethyl]-3-[(2-methylphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-(3-acetyl-1H-pyrazole-5-carbonyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Traditional Name: (3R)-1-(3-acetyl-1H-pyrazole-5-carbonyl)-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC(=NN2)C(=O)C)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@]1(CCCN(C1)C(=O)C2=CC(=NN2)C(=O)C)CC3=CC=CC=C3C

InChI

InChI=1S/C22H27N3O4/c1-4-29-21(28)22(13-17-9-6-5-8-15(17)2)10-7-11-25(14-22)20(27)19-12-18(16(3)26)23-24-19/h5-6,8-9,12H,4,7,10-11,13-14H2,1-3H3,(H,23,24)/t22-/m1/s1