[2-[[2-(4-methylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [2-[[2-(4-methylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-[2-(4-methylphenoxy)anilino]-2-oxo-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-keto-2-[2-(4-methylphenoxy)anilino]ethyl] ester Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC=C3OC4=CC=C(C=C4)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC=C3OC4=CC=C(C=C4)C

InChI

InChI=1S/C27H25N3O5/c1-3-16-30-26(32)21-9-5-4-8-20(21)25(29-30)27(33)34-17-24(31)28-22-10-6-7-11-23(22)35-19-14-12-18(2)13-15-19/h4-15H,3,16-17H2,1-2H3,(H,28,31)