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

Systemtic Name: 5,6-dimethoxy-3-[[1-[3-(3-methoxyphenyl)propyl]piperidin-3-yl]methyl]-2,3-dihydroisoindol-1-one Openeye Name: 5,6-dimethoxy-3-[[1-[3-(3-methoxyphenyl)propyl]-3-piperidyl]methyl]isoindolin-1-one CAS Name: 5,6-dimethoxy-3-[[1-[3-(3-methoxyphenyl)propyl]-3-piperidinyl]methyl]-2,3-dihydroisoindol-1-one IUPAC Name: 5,6-dimethoxy-3-[[1-[3-(3-methoxyphenyl)propyl]piperidin-3-yl]methyl]-2,3-dihydroisoindol-1-one Traditional Name: 5,6-dimethoxy-3-[[1-[3-(3-methoxyphenyl)propyl]-3-piperidyl]methyl]isoindolin-1-one Formula: C26H34N2O4 MolecularWeight: 438.55916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCCN2CCCC(C2)CC3C4=CC(=C(C=C4C(=O)N3)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1)CCCN2CCCC(C2)CC3C4=CC(=C(C=C4C(=O)N3)OC)OC

InChI

InChI=1S/C26H34N2O4/c1-30-20-10-4-7-18(13-20)8-5-11-28-12-6-9-19(17-28)14-23-21-15-24(31-2)25(32-3)16-22(21)26(29)27-23/h4,7,10,13,15-16,19,23H,5-6,8-9,11-12,14,17H2,1-3H3,(H,27,29)