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

Systemtic Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-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 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester Formula: C24H26N2O5 MolecularWeight: 422.47364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3COC4=CC=CC=C4O3

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C24H26N2O5/c1-2-3-4-9-14-26-23(27)19-11-6-5-10-18(19)22(25-26)24(28)30-16-17-15-29-20-12-7-8-13-21(20)31-17/h5-8,10-13,17H,2-4,9,14-16H2,1H3/t17-/m1/s1