5,6-dimethoxy-2-[[1-[4-(4-methoxyphenyl)butyl]piperidin-3-yl]methyl]-3H-isoindol-1-one

Systemtic Name: 5,6-dimethoxy-2-[[1-[4-(4-methoxyphenyl)butyl]piperidin-3-yl]methyl]-3H-isoindol-1-one Openeye Name: 5,6-dimethoxy-2-[[1-[4-(4-methoxyphenyl)butyl]-3-piperidyl]methyl]isoindolin-1-one CAS Name: 5,6-dimethoxy-2-[[1-[4-(4-methoxyphenyl)butyl]-3-piperidinyl]methyl]-3H-isoindol-1-one IUPAC Name: 5,6-dimethoxy-2-[[1-[4-(4-methoxyphenyl)butyl]piperidin-3-yl]methyl]-3H-isoindol-1-one Traditional Name: 5,6-dimethoxy-2-[[1-[4-(4-methoxyphenyl)butyl]-3-piperidyl]methyl]isoindolin-1-one Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCCN2CCCC(C2)CN3CC4=CC(=C(C=C4C3=O)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)CCCCN2CCCC(C2)CN3CC4=CC(=C(C=C4C3=O)OC)OC

InChI

InChI=1S/C27H36N2O4/c1-31-23-11-9-20(10-12-23)7-4-5-13-28-14-6-8-21(17-28)18-29-19-22-15-25(32-2)26(33-3)16-24(22)27(29)30/h9-12,15-16,21H,4-8,13-14,17-19H2,1-3H3