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

Systemtic Name: 4-[methyl-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[methyl-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]amino]-4-oxo-butanoic acid CAS Name: 4-[methyl-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[methyl-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[methyl-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]amino]butyric acid Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-16-8-10-17(11-9-16)22-18(14-24(2)20(26)12-13-21(27)28)15-25(23-22)19-6-4-3-5-7-19/h3-11,15H,12-14H2,1-2H3,(H,27,28)