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

Systemtic Name: [1-piperidin-1-yl-3-(5,6,7-trimethoxy-1-oxidanylidene-phthalazin-2-yl)propan-2-yl] 3,4,5-trimethoxybenzoate Openeye Name: [1-(1-piperidylmethyl)-2-(5,6,7-trimethoxy-1-oxo-phthalazin-2-yl)ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [1-(1-piperidinyl)-3-(5,6,7-trimethoxy-1-oxo-2-phthalazinyl)propan-2-yl] ester IUPAC Name: [1-piperidin-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-piperidino-ethyl] ester Formula: C29H37N3O9 MolecularWeight: 571.61878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC(CN2CCCCC2)CN3C(=O)C4=CC(=C(C(=C4C=N3)OC)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC(CN2CCCCC2)CN3C(=O)C4=CC(=C(C(=C4C=N3)OC)OC)OC

InChI

InChI=1S/C29H37N3O9/c1-35-22-12-18(13-23(36-2)26(22)39-5)29(34)41-19(16-31-10-8-7-9-11-31)17-32-28(33)20-14-24(37-3)27(40-6)25(38-4)21(20)15-30-32/h12-15,19H,7-11,16-17H2,1-6H3