4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-methyl-4-oxidanylidene-2-propan-2-yl-butanoic acid

Systemtic Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-methyl-4-oxidanylidene-2-propan-2-yl-butanoic acid Openeye Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-isopropyl-2-methyl-4-oxo-butanoic acid CAS Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid IUPAC Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid Traditional Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-isopropyl-4-keto-2-methyl-butyric acid Formula: C13H21N3O3 MolecularWeight: 267.32414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=O)CC(C)(C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=O)CC(C)(C(C)C)C(=O)O

InChI

InChI=1S/C13H21N3O3/c1-7(2)13(5,12(18)19)6-10(17)14-11-8(3)15-16-9(11)4/h7H,6H2,1-5H3,(H,14,17)(H,15,16)(H,18,19)