4-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxidanylidene-4,5-dihydropyridazin-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxidanylidene-4,5-dihydropyridazin-1-yl]methyl]benzoic acid Openeye Name: 4-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzoic acid CAS Name: 4-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzoic acid IUPAC Name: 4-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzoic acid Traditional Name: 4-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-keto-4,5-dihydropyridazin-1-yl]methyl]benzoic acid Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)N(N=C1C2=CC(=C(C=C2)OC)OC)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC1CC(=O)N(N=C1C2=CC(=C(C=C2)OC)OC)CC3=CC=C(C=C3)C(=O)O

InChI

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