(4-methoxycarbonylphenyl) 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl) 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (4-methoxycarbonylphenyl) 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (4-carbomethoxyphenyl) ester Formula: C22H22N2O5 MolecularWeight: 394.42048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O5/c1-3-4-7-14-24-20(25)18-9-6-5-8-17(18)19(23-24)22(27)29-16-12-10-15(11-13-16)21(26)28-2/h5-6,8-13H,3-4,7,14H2,1-2H3