4-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]-2-propyl-benzoic acid

Systemtic Name: 4-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]-2-propyl-benzoic acid Openeye Name: 4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]-2-propyl-benzoic acid CAS Name: 4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]-2-propylbenzoic acid IUPAC Name: 4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]-2-propylbenzoic acid Traditional Name: 4-[4-(3,4-dimethoxyphenyl)-1-keto-4a,5,8,8a-tetrahydrophthalazin-2-yl]-2-propyl-benzoic acid Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)N2C(=O)C3CC=CCC3C(=N2)C4=CC(=C(C=C4)OC)OC)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)N2C(=O)C3CC=CCC3C(=N2)C4=CC(=C(C=C4)OC)OC)C(=O)O

InChI

InChI=1S/C26H28N2O5/c1-4-7-16-14-18(11-12-19(16)26(30)31)28-25(29)21-9-6-5-8-20(21)24(27-28)17-10-13-22(32-2)23(15-17)33-3/h5-6,10-15,20-21H,4,7-9H2,1-3H3,(H,30,31)