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

Systemtic Name: (4-methoxycarbonylphenyl) 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-methoxycarbonylphenyl) 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid (4-carbomethoxyphenyl) ester Formula: C21H20N2O5 MolecularWeight: 380.3939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O5/c1-3-4-13-23-19(24)17-8-6-5-7-16(17)18(22-23)21(26)28-15-11-9-14(10-12-15)20(25)27-2/h5-12H,3-4,13H2,1-2H3