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

Systemtic Name: 4-[[2-(4-methoxyphenyl)-5-methyl-4-phenyl-pyrazol-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-(4-methoxyphenyl)-5-methyl-4-phenyl-pyrazol-3-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[2-(4-methoxyphenyl)-5-methyl-4-phenyl-3-pyrazolyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[2-(4-methoxyphenyl)-5-methyl-4-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[2-(4-methoxyphenyl)-5-methyl-4-phenyl-pyrazol-3-yl]amino]butyric acid Formula: C21H21N3O4 MolecularWeight: 379.40914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC=CC=C2)NC(=O)CCC(=O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=NN(C(=C1C2=CC=CC=C2)NC(=O)CCC(=O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21N3O4/c1-14-20(15-6-4-3-5-7-15)21(22-18(25)12-13-19(26)27)24(23-14)16-8-10-17(28-2)11-9-16/h3-11H,12-13H2,1-2H3,(H,22,25)(H,26,27)