2-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxidanyl-3-(phenylmethyl)isoindol-1-one

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxidanyl-3-(phenylmethyl)isoindol-1-one Openeye Name: 3-benzyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-isoindolin-1-one CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-3-(phenylmethyl)-1-isoindolone IUPAC Name: 3-benzyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxyisoindol-1-one Traditional Name: 3-benzyl-2-homoveratryl-3-hydroxy-isoindolin-1-one Formula: C25H25NO4 MolecularWeight: 403.4703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3C2(CC4=CC=CC=C4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3C2(CC4=CC=CC=C4)O)OC

InChI

InChI=1S/C25H25NO4/c1-29-22-13-12-18(16-23(22)30-2)14-15-26-24(27)20-10-6-7-11-21(20)25(26,28)17-19-8-4-3-5-9-19/h3-13,16,28H,14-15,17H2,1-2H3