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

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-(3,4,5-trimethoxyanilino)ethyl] ester Formula: C25H29N3O7 MolecularWeight: 483.51366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C25H29N3O7/c1-5-6-9-12-28-24(30)18-11-8-7-10-17(18)22(27-28)25(31)35-15-21(29)26-16-13-19(32-2)23(34-4)20(14-16)33-3/h7-8,10-11,13-14H,5-6,9,12,15H2,1-4H3,(H,26,29)