4-[3,5-bis(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3,5-bis(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3,5-bis(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3,5-bis(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3,5-bis(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[3,5-bis(3,4-dimethoxyphenyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C23H26N2O7 MolecularWeight: 442.46174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC(=C(C=C3)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C23H26N2O7/c1-29-18-7-5-14(11-20(18)31-3)16-13-17(25(24-16)22(26)9-10-23(27)28)15-6-8-19(30-2)21(12-15)32-4/h5-8,11-12,17H,9-10,13H2,1-4H3,(H,27,28)