4-(4-methylphenyl)-4-oxidanylidene-2-(propylamino)butanoic acid; 5-methyl-1H-pyrazole

Systemtic Name: 4-(4-methylphenyl)-4-oxidanylidene-2-(propylamino)butanoic acid; 5-methyl-1H-pyrazole Openeye Name: 5-methyl-1H-pyrazole; 4-oxo-2-(propylamino)-4-(p-tolyl)butanoic acid CAS Name: 4-(4-methylphenyl)-4-oxo-2-(propylamino)butanoic acid; 5-methyl-1H-pyrazole IUPAC Name: 4-(4-methylphenyl)-4-oxo-2-(propylamino)butanoic acid; 5-methyl-1H-pyrazole Traditional Name: 4-keto-2-(propylamino)-4-(p-tolyl)butyric acid; 5-methyl-1H-pyrazole Formula: C18H25N3O3 MolecularWeight: 331.4094

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3.C4H6N2/c1-3-8-15-12(14(17)18)9-13(16)11-6-4-10(2)5-7-11;1-4-2-3-5-6-4/h4-7,12,15H,3,8-9H2,1-2H3,(H,17,18);2-3H,1H3,(H,5,6)