methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-2-[2-(2-hydroxyethyloxy)ethyl]-6,7-dimethoxy-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-2-[2-(2-hydroxyethyloxy)ethyl]-6,7-dimethoxy-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 4-(3-bromo-4,5-dimethoxy-phenyl)-2-[2-(2-hydroxyethoxy)ethyl]-6,7-dimethoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethyl]-6,7-dimethoxy-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4,5-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethyl]-6,7-dimethoxy-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-2-[2-(2-hydroxyethoxy)ethyl]-1-keto-6,7-dimethoxy-isoquinoline-3-carboxylic acid methyl ester Formula: C25H28BrNO9 MolecularWeight: 566.39512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)CCOCCO)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)CCOCCO)C(=O)OC)Br)OC

InChI

InChI=1S/C25H28BrNO9/c1-31-18-12-15-16(13-19(18)32-2)24(29)27(6-8-36-9-7-28)22(25(30)35-5)21(15)14-10-17(26)23(34-4)20(11-14)33-3/h10-13,28H,6-9H2,1-5H3