1,3-benzodioxol-5-yl-[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone Formula: C28H29NO6 MolecularWeight: 475.53296

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC5=C(C=C4)OCO5)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC5=C(C=C4)OCO5)OC)OC

InChI

InChI=1S/C28H29NO6/c1-4-18-5-8-21(9-6-18)33-16-23-22-15-26(32-3)25(31-2)13-19(22)11-12-29(23)28(30)20-7-10-24-27(14-20)35-17-34-24/h5-10,13-15,23H,4,11-12,16-17H2,1-3H3