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

Systemtic Name: 5,6-dimethoxy-2-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-3H-isoindol-1-one Openeye Name: 5,6-dimethoxy-2-[[1-[2-(3-methoxyphenyl)ethyl]-3-piperidyl]methyl]isoindolin-1-one CAS Name: 5,6-dimethoxy-2-[[1-[2-(3-methoxyphenyl)ethyl]-3-piperidinyl]methyl]-3H-isoindol-1-one IUPAC Name: 5,6-dimethoxy-2-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-3H-isoindol-1-one Traditional Name: 5,6-dimethoxy-2-[[1-[2-(3-methoxyphenyl)ethyl]-3-piperidyl]methyl]isoindolin-1-one Formula: C25H32N2O4 MolecularWeight: 424.53258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCN2CCCC(C2)CN3CC4=CC(=C(C=C4C3=O)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1)CCN2CCCC(C2)CN3CC4=CC(=C(C=C4C3=O)OC)OC

InChI

InChI=1S/C25H32N2O4/c1-29-21-8-4-6-18(12-21)9-11-26-10-5-7-19(15-26)16-27-17-20-13-23(30-2)24(31-3)14-22(20)25(27)28/h4,6,8,12-14,19H,5,7,9-11,15-17H2,1-3H3