2-[4-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-6-oxidanylidene-4H-pyridazin-1-yl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-6-oxidanylidene-4H-pyridazin-1-yl]phenyl]ethanoic acid Openeye Name: 2-[4-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-6-oxo-4H-pyridazin-1-yl]phenyl]acetic acid CAS Name: 2-[4-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-6-oxo-4H-pyridazin-1-yl]phenyl]acetic acid IUPAC Name: 2-[4-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-6-oxo-4H-pyridazin-1-yl]phenyl]acetic acid Traditional Name: 2-[4-[3-(3,4-dimethoxyphenyl)-6-keto-5,5-dimethyl-4H-pyridazin-1-yl]phenyl]acetic acid Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NN(C1=O)C2=CC=C(C=C2)CC(=O)O)C3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1(CC(=NN(C1=O)C2=CC=C(C=C2)CC(=O)O)C3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C22H24N2O5/c1-22(2)13-17(15-7-10-18(28-3)19(12-15)29-4)23-24(21(22)27)16-8-5-14(6-9-16)11-20(25)26/h5-10,12H,11,13H2,1-4H3,(H,25,26)