4-(4-methylphenyl)-2-[2-(5-methylpyrazol-1-yl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-methylphenyl)-2-[2-(5-methylpyrazol-1-yl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[2-(5-methylpyrazol-1-yl)ethylamino]-4-oxo-4-(p-tolyl)butanoic acid CAS Name: 4-(4-methylphenyl)-2-[2-(5-methyl-1-pyrazolyl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-(4-methylphenyl)-2-[2-(5-methylpyrazol-1-yl)ethylamino]-4-oxobutanoic acid Traditional Name: 4-keto-2-[2-(5-methylpyrazol-1-yl)ethylamino]-4-(p-tolyl)butyric acid Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)NCCN2C(=CC=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)NCCN2C(=CC=N2)C

InChI

InChI=1S/C17H21N3O3/c1-12-3-5-14(6-4-12)16(21)11-15(17(22)23)18-9-10-20-13(2)7-8-19-20/h3-8,15,18H,9-11H2,1-2H3,(H,22,23)