3,5-dimethyl-1H-pyrazole; 4-(4-methylphenyl)-4-oxidanylidene-2-(propylamino)butanoic acid

Systemtic Name: 3,5-dimethyl-1H-pyrazole; 4-(4-methylphenyl)-4-oxidanylidene-2-(propylamino)butanoic acid Openeye Name: 3,5-dimethyl-1H-pyrazole; 4-oxo-2-(propylamino)-4-(p-tolyl)butanoic acid CAS Name: 3,5-dimethyl-1H-pyrazole; 4-(4-methylphenyl)-4-oxo-2-(propylamino)butanoic acid IUPAC Name: 3,5-dimethyl-1H-pyrazole; 4-(4-methylphenyl)-4-oxo-2-(propylamino)butanoic acid Traditional Name: 3,5-dimethyl-1H-pyrazole; 4-keto-2-(propylamino)-4-(p-tolyl)butyric acid Formula: C19H27N3O3 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(CC(=O)C1=CC=C(C=C1)C)C(=O)O.CC1=CC(=NN1)C

Isomeric SMILES

CCCNC(CC(=O)C1=CC=C(C=C1)C)C(=O)O.CC1=CC(=NN1)C

InChI

InChI=1S/C14H19NO3.C5H8N2/c1-3-8-15-12(14(17)18)9-13(16)11-6-4-10(2)5-7-11;1-4-3-5(2)7-6-4/h4-7,12,15H,3,8-9H2,1-2H3,(H,17,18);3H,1-2H3,(H,6,7)