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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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