4-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxo-butanoic acid CAS Name: 4-[[3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]methyl-methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-4-oxobutanoic acid Traditional Name: 4-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-keto-butyric acid Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2CN(C)C(=O)CCC(=O)O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2CN(C)C(=O)CCC(=O)O)C3=CC=CC=C3)C

InChI

InChI=1S/C23H25N3O3/c1-16-9-10-18(13-17(16)2)23-19(14-25(3)21(27)11-12-22(28)29)15-26(24-23)20-7-5-4-6-8-20/h4-10,13,15H,11-12,14H2,1-3H3,(H,28,29)