[2-[(2-ethoxy-2-oxidanylidene-ethyl)-phenyl-amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: [2-[(2-ethoxy-2-oxidanylidene-ethyl)-phenyl-amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: [2-(N-(2-ethoxy-2-oxo-ethyl)anilino)-2-oxo-ethyl] 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [2-(N-(2-ethoxy-2-keto-ethyl)anilino)-2-keto-ethyl] ester Formula: C28H25N3O6 MolecularWeight: 499.5146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=CC=C1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN(C1=CC=CC=C1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C28H25N3O6/c1-2-36-25(33)18-30(21-13-7-4-8-14-21)24(32)19-37-28(35)26-22-15-9-10-16-23(22)27(34)31(29-26)17-20-11-5-3-6-12-20/h3-16H,2,17-19H2,1H3