4,5-dimethoxy-7-[[1-[3-(6-methoxynaphthalen-1-yl)-2-oxidanyl-propyl]azepan-3-yl]methyl]isoindole-1,3-dione

Systemtic Name: 4,5-dimethoxy-7-[[1-[3-(6-methoxynaphthalen-1-yl)-2-oxidanyl-propyl]azepan-3-yl]methyl]isoindole-1,3-dione Openeye Name: 7-[[1-[2-hydroxy-3-(6-methoxy-1-naphthyl)propyl]azepan-3-yl]methyl]-4,5-dimethoxy-isoindoline-1,3-dione CAS Name: 7-[[1-[2-hydroxy-3-(6-methoxy-1-naphthalenyl)propyl]-3-azepanyl]methyl]-4,5-dimethoxyisoindole-1,3-dione IUPAC Name: 7-[[1-[2-hydroxy-3-(6-methoxynaphthalen-1-yl)propyl]azepan-3-yl]methyl]-4,5-dimethoxyisoindole-1,3-dione Traditional Name: 7-[[1-[2-hydroxy-3-(6-methoxy-1-naphthyl)propyl]azepan-3-yl]methyl]-4,5-dimethoxy-isoindoline-1,3-quinone Formula: C31H36N2O6 MolecularWeight: 532.62734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC=C2)CC(CN3CCCCC(C3)CC4=CC(=C(C5=C4C(=O)NC5=O)OC)OC)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC=C2)CC(CN3CCCCC(C3)CC4=CC(=C(C5=C4C(=O)NC5=O)OC)OC)O

InChI

InChI=1S/C31H36N2O6/c1-37-24-10-11-25-20(8-6-9-21(25)15-24)14-23(34)18-33-12-5-4-7-19(17-33)13-22-16-26(38-2)29(39-3)28-27(22)30(35)32-31(28)36/h6,8-11,15-16,19,23,34H,4-5,7,12-14,17-18H2,1-3H3,(H,32,35,36)