[2-[[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl] 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid [2-keto-2-[[(1R)-1-methylpropyl]amino]ethyl] ester Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2)C

Isomeric SMILES

CC[C@@H](C)NC(=O)COC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2)C

InChI

InChI=1S/C19H25N3O3/c1-5-13(2)20-17(23)12-25-19(24)18-14(3)21-22(15(18)4)11-16-9-7-6-8-10-16/h6-10,13H,5,11-12H2,1-4H3,(H,20,23)/t13-/m1/s1