3-[3-(1,3-benzodioxol-5-yloxymethyl)piperidin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: 3-[3-(1,3-benzodioxol-5-yloxymethyl)piperidin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 3-[3-(1,3-benzodioxol-5-yloxymethyl)-1-piperidyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 3-[3-(1,3-benzodioxol-5-yloxymethyl)-1-piperidinyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 3-[3-(1,3-benzodioxol-5-yloxymethyl)piperidin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 3-[3-(1,3-benzodioxol-5-yloxymethyl)piperidino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C27H34N2O6 MolecularWeight: 482.56866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCN3CCCC(C3)COC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCN3CCCC(C3)COC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C27H34N2O6/c1-31-24-12-20-7-11-29(16-21(20)13-25(24)32-2)27(30)8-10-28-9-3-4-19(15-28)17-33-22-5-6-23-26(14-22)35-18-34-23/h5-6,12-14,19H,3-4,7-11,15-18H2,1-2H3