3-[2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(2,5-diethoxy-4-morpholino-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[2,5-diethoxy-4-(4-morpholinyl)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(2,5-diethoxy-4-morpholino-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C25H28N4O7 MolecularWeight: 496.51242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C25H28N4O7/c1-3-35-20-14-19(28-9-11-34-12-10-28)21(36-4-2)13-18(20)26-22(30)15-29-24(31)17-8-6-5-7-16(17)23(27-29)25(32)33/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H,26,30)(H,32,33)