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

Systemtic Name: [1-morpholin-4-yl-3-(5,6,7-trimethoxy-1-oxidanylidene-phthalazin-2-yl)propan-2-yl] 3,4,5-triethoxybenzoate Openeye Name: [1-(morpholinomethyl)-2-(5,6,7-trimethoxy-1-oxo-phthalazin-2-yl)ethyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic 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] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [1-[(1-keto-5,6,7-trimethoxy-phthalazin-2-yl)methyl]-2-morpholino-ethyl] ester Formula: C31H41N3O10 MolecularWeight: 615.67134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC(CN2CCOCC2)CN3C(=O)C4=CC(=C(C(=C4C=N3)OC)OC)OC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC(CN2CCOCC2)CN3C(=O)C4=CC(=C(C(=C4C=N3)OC)OC)OC

InChI

InChI=1S/C31H41N3O10/c1-7-41-25-14-20(15-26(42-8-2)28(25)43-9-3)31(36)44-21(18-33-10-12-40-13-11-33)19-34-30(35)22-16-24(37-4)29(39-6)27(38-5)23(22)17-32-34/h14-17,21H,7-13,18-19H2,1-6H3