4-[[5-methyl-2-(4-methylphenyl)-4-phenyl-pyrazol-3-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-methyl-2-(4-methylphenyl)-4-phenyl-pyrazol-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[5-methyl-4-phenyl-2-(p-tolyl)pyrazol-3-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[5-methyl-2-(4-methylphenyl)-4-phenyl-3-pyrazolyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[5-methyl-2-(4-methylphenyl)-4-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[5-methyl-4-phenyl-2-(p-tolyl)pyrazol-3-yl]amino]butyric acid Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C3=CC=CC=C3)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C3=CC=CC=C3)NC(=O)CCC(=O)O

InChI

InChI=1S/C21H21N3O3/c1-14-8-10-17(11-9-14)24-21(22-18(25)12-13-19(26)27)20(15(2)23-24)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,22,25)(H,26,27)