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

Systemtic Name: 6-[4-(3,4-diethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]hexanoic acid Openeye Name: 6-[4-(3,4-diethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]hexanoic acid CAS Name: 6-[4-(3,4-diethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]hexanoic acid IUPAC Name: 6-[4-(3,4-diethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]hexanoic acid Traditional Name: 6-[4-(3,4-diethoxyphenyl)-1-keto-4a,5,8,8a-tetrahydrophthalazin-2-yl]hexanoic acid Formula: C24H32N2O5 MolecularWeight: 428.52128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCCC(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCCC(=O)O)OCC

InChI

InChI=1S/C24H32N2O5/c1-3-30-20-14-13-17(16-21(20)31-4-2)23-18-10-7-8-11-19(18)24(29)26(25-23)15-9-5-6-12-22(27)28/h7-8,13-14,16,18-19H,3-6,9-12,15H2,1-2H3,(H,27,28)