[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester IUPAC Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester Formula: C23H24N2O5 MolecularWeight: 408.44706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3COC4=CC=CC=C4O3

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C23H24N2O5/c1-2-3-8-13-25-22(26)18-10-5-4-9-17(18)21(24-25)23(27)29-15-16-14-28-19-11-6-7-12-20(19)30-16/h4-7,9-12,16H,2-3,8,13-15H2,1H3/t16-/m1/s1