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

Systemtic Name: 2-[[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-3-yl]methyl]-5,6-dimethoxy-3H-isoindol-1-one Openeye Name: 2-[[1-[2-(3,4-dimethylphenyl)ethyl]-3-piperidyl]methyl]-5,6-dimethoxy-isoindolin-1-one CAS Name: 2-[[1-[2-(3,4-dimethylphenyl)ethyl]-3-piperidinyl]methyl]-5,6-dimethoxy-3H-isoindol-1-one IUPAC Name: 2-[[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-3-yl]methyl]-5,6-dimethoxy-3H-isoindol-1-one Traditional Name: 2-[[1-[2-(3,4-dimethylphenyl)ethyl]-3-piperidyl]methyl]-5,6-dimethoxy-isoindolin-1-one Formula: C26H34N2O3 MolecularWeight: 422.55976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCN2CCCC(C2)CN3CC4=CC(=C(C=C4C3=O)OC)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)CCN2CCCC(C2)CN3CC4=CC(=C(C=C4C3=O)OC)OC)C

InChI

InChI=1S/C26H34N2O3/c1-18-7-8-20(12-19(18)2)9-11-27-10-5-6-21(15-27)16-28-17-22-13-24(30-3)25(31-4)14-23(22)26(28)29/h7-8,12-14,21H,5-6,9-11,15-17H2,1-4H3