(E)-but-2-enedioic acid; N-[2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]-N-octyl-2-(propylamino)ethanamide

Systemtic Name: (E)-but-2-enedioic acid; N-[2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]-N-octyl-2-(propylamino)ethanamide Openeye Name: N-[2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]-N-octyl-2-(propylamino)acetamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-N-octyl-2-(propylamino)acetamide IUPAC Name: (E)-but-2-enedioic acid; N-[2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-N-octyl-2-(propylamino)acetamide Traditional Name: N-[2-(6,7-dimethoxy-1-veratryl-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-N-octyl-2-(propylamino)acetamide; fumaric acid Formula: C39H57N3O10 MolecularWeight: 727.88398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CC(=O)N1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)C(=O)CNCCC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCN(CC(=O)N1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)C(=O)CNCCC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C35H53N3O6.C4H4O4/c1-7-9-10-11-12-13-18-37(34(39)24-36-17-8-2)25-35(40)38-19-16-27-22-32(43-5)33(44-6)23-28(27)29(38)20-26-14-15-30(41-3)31(21-26)42-4;5-3(6)1-2-4(7)8/h14-15,21-23,29,36H,7-13,16-20,24-25H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+