methyl 4-[[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-anilino]-4-oxo-butanoate CAS Name: 4-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate Traditional Name: 4-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-anilino]-4-keto-butyric acid methyl ester Formula: C25H28N2O7 MolecularWeight: 468.49902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)CCC(=O)OC)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)CCC(=O)OC)OC)OC)OC

InChI

InChI=1S/C25H28N2O7/c1-30-20-11-15-8-9-26-19(17(15)13-22(20)32-3)10-16-12-21(31-2)23(33-4)14-18(16)27-24(28)6-7-25(29)34-5/h8-9,11-14H,6-7,10H2,1-5H3,(H,27,28)