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

Systemtic Name: 5,6-dimethoxy-3-[[1-[4-(4-methoxyphenyl)butyl]piperidin-3-yl]methyl]-2,3-dihydroisoindol-1-one Openeye Name: 5,6-dimethoxy-3-[[1-[4-(4-methoxyphenyl)butyl]-3-piperidyl]methyl]isoindolin-1-one CAS Name: 5,6-dimethoxy-3-[[1-[4-(4-methoxyphenyl)butyl]-3-piperidinyl]methyl]-2,3-dihydroisoindol-1-one IUPAC Name: 5,6-dimethoxy-3-[[1-[4-(4-methoxyphenyl)butyl]piperidin-3-yl]methyl]-2,3-dihydroisoindol-1-one Traditional Name: 5,6-dimethoxy-3-[[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)CC3C4=CC(=C(C=C4C(=O)N3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)CCCCN2CCCC(C2)CC3C4=CC(=C(C=C4C(=O)N3)OC)OC

InChI

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