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

Systemtic Name: 4-[3-(1,3-benzodioxol-5-yloxymethyl)piperidin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Openeye Name: 4-[3-(1,3-benzodioxol-5-yloxymethyl)-1-piperidyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one CAS Name: 4-[3-(1,3-benzodioxol-5-yloxymethyl)-1-piperidinyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-butanone IUPAC Name: 4-[3-(1,3-benzodioxol-5-yloxymethyl)piperidin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Traditional Name: 4-[3-(1,3-benzodioxol-5-yloxymethyl)piperidino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Formula: C28H36N2O6 MolecularWeight: 496.59524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCCN3CCCC(C3)COC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCCN3CCCC(C3)COC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C28H36N2O6/c1-32-25-13-21-9-12-30(17-22(21)14-26(25)33-2)28(31)6-4-11-29-10-3-5-20(16-29)18-34-23-7-8-24-27(15-23)36-19-35-24/h7-8,13-15,20H,3-6,9-12,16-19H2,1-2H3