[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-(2,5-dimethoxyanilino)-2-oxo-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [2-(2,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-(2,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C22H23N3O6 MolecularWeight: 425.43452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H23N3O6/c1-4-11-25-21(27)16-8-6-5-7-15(16)20(24-25)22(28)31-13-19(26)23-17-12-14(29-2)9-10-18(17)30-3/h5-10,12H,4,11,13H2,1-3H3,(H,23,26)