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; 2-oxidanylidenepropanoic acid

Systemtic Name: 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; 2-oxidanylidenepropanoic acid 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; 2-oxopropanoic acid CAS Name: N-[2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-N-octyl-2-(propylamino)acetamide; 2-oxopropanoic acid IUPAC Name: N-[2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-N-octyl-2-(propylamino)acetamide; 2-oxopropanoic acid Traditional Name: N-[2-(6,7-dimethoxy-1-veratryl-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-N-octyl-2-(propylamino)acetamide; pyruvic acid Formula: C38H57N3O9 MolecularWeight: 699.87388

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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.CC(=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.CC(=O)C(=O)O

InChI

InChI=1S/C35H53N3O6.C3H4O3/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;1-2(4)3(5)6/h14-15,21-23,29,36H,7-13,16-20,24-25H2,1-6H3;1H3,(H,5,6)