[1-morpholin-4-yl-3-(5,6,7-trimethoxy-1-oxidanylidene-phthalazin-2-yl)propan-2-yl] 4-butoxy-3,5-diethoxy-benzoate

Systemtic Name: [1-morpholin-4-yl-3-(5,6,7-trimethoxy-1-oxidanylidene-phthalazin-2-yl)propan-2-yl] 4-butoxy-3,5-diethoxy-benzoate Openeye Name: [1-(morpholinomethyl)-2-(5,6,7-trimethoxy-1-oxo-phthalazin-2-yl)ethyl] 4-butoxy-3,5-diethoxy-benzoate CAS Name: 4-butoxy-3,5-diethoxybenzoic acid [1-(4-morpholinyl)-3-(5,6,7-trimethoxy-1-oxo-2-phthalazinyl)propan-2-yl] ester IUPAC Name: [1-morpholin-4-yl-3-(5,6,7-trimethoxy-1-oxophthalazin-2-yl)propan-2-yl] 4-butoxy-3,5-diethoxybenzoate Traditional Name: 4-butoxy-3,5-diethoxy-benzoic acid [1-[(1-keto-5,6,7-trimethoxy-phthalazin-2-yl)methyl]-2-morpholino-ethyl] ester Formula: C33H45N3O10 MolecularWeight: 643.7245

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1OCC)C(=O)OC(CN2CCOCC2)CN3C(=O)C4=CC(=C(C(=C4C=N3)OC)OC)OC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1OCC)C(=O)OC(CN2CCOCC2)CN3C(=O)C4=CC(=C(C(=C4C=N3)OC)OC)OC)OCC

InChI

InChI=1S/C33H45N3O10/c1-7-10-13-45-30-27(43-8-2)16-22(17-28(30)44-9-3)33(38)46-23(20-35-11-14-42-15-12-35)21-36-32(37)24-18-26(39-4)31(41-6)29(40-5)25(24)19-34-36/h16-19,23H,7-15,20-21H2,1-6H3