6-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]hexanoic acid

Systemtic Name: 6-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]hexanoic acid Openeye Name: 6-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]hexanoic acid CAS Name: 6-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]hexanoic acid IUPAC Name: 6-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]hexanoic acid Traditional Name: 6-[4-(3,4-dimethoxyphenyl)-1-keto-4a,5,8,8a-tetrahydrophthalazin-2-yl]hexanoic acid Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCCC(=O)O)OC

InChI

InChI=1S/C22H28N2O5/c1-28-18-12-11-15(14-19(18)29-2)21-16-8-5-6-9-17(16)22(27)24(23-21)13-7-3-4-10-20(25)26/h5-6,11-12,14,16-17H,3-4,7-10,13H2,1-2H3,(H,25,26)