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

Systemtic Name: [1-pyrrolidin-1-yl-3-(5,6,7-trimethoxy-1-oxidanylidene-phthalazin-2-yl)propan-2-yl] 3,4,5-trimethoxybenzoate Openeye Name: [1-(pyrrolidin-1-ylmethyl)-2-(5,6,7-trimethoxy-1-oxo-phthalazin-2-yl)ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [1-(1-pyrrolidinyl)-3-(5,6,7-trimethoxy-1-oxo-2-phthalazinyl)propan-2-yl] ester IUPAC Name: [1-pyrrolidin-1-yl-3-(5,6,7-trimethoxy-1-oxophthalazin-2-yl)propan-2-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [1-[(1-keto-5,6,7-trimethoxy-phthalazin-2-yl)methyl]-2-pyrrolidino-ethyl] ester Formula: C28H35N3O9 MolecularWeight: 557.5922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC(CN2CCCC2)CN3C(=O)C4=CC(=C(C(=C4C=N3)OC)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC(CN2CCCC2)CN3C(=O)C4=CC(=C(C(=C4C=N3)OC)OC)OC

InChI

InChI=1S/C28H35N3O9/c1-34-21-11-17(12-22(35-2)25(21)38-5)28(33)40-18(15-30-9-7-8-10-30)16-31-27(32)19-13-23(36-3)26(39-6)24(37-4)20(19)14-29-31/h11-14,18H,7-10,15-16H2,1-6H3