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

Systemtic Name: 5,6-dimethoxy-2-[[1-[2-(4-phenylmethoxyphenyl)ethyl]piperidin-3-yl]methyl]-3H-isoindol-1-one Openeye Name: 2-[[1-[2-(4-benzyloxyphenyl)ethyl]-3-piperidyl]methyl]-5,6-dimethoxy-isoindolin-1-one CAS Name: 5,6-dimethoxy-2-[[1-[2-(4-phenylmethoxyphenyl)ethyl]-3-piperidinyl]methyl]-3H-isoindol-1-one IUPAC Name: 5,6-dimethoxy-2-[[1-[2-(4-phenylmethoxyphenyl)ethyl]piperidin-3-yl]methyl]-3H-isoindol-1-one Traditional Name: 2-[[1-[2-(4-benzoxyphenyl)ethyl]-3-piperidyl]methyl]-5,6-dimethoxy-isoindolin-1-one Formula: C31H36N2O4 MolecularWeight: 500.62854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CN(C2=O)CC3CCCN(C3)CCC4=CC=C(C=C4)OCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CN(C2=O)CC3CCCN(C3)CCC4=CC=C(C=C4)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C31H36N2O4/c1-35-29-17-26-21-33(31(34)28(26)18-30(29)36-2)20-25-9-6-15-32(19-25)16-14-23-10-12-27(13-11-23)37-22-24-7-4-3-5-8-24/h3-5,7-8,10-13,17-18,25H,6,9,14-16,19-22H2,1-2H3