ethyl 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-7-ethoxycarbonyloxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-7-ethoxycarbonyloxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-7-ethoxycarbonyloxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-7-ethoxycarbonyloxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-7-ethoxycarbonyloxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-7-carbethoxyoxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C25H30BrNO8 MolecularWeight: 552.4116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3Br)OC)OC)OC(=O)OCC)OC

Isomeric SMILES

CCOC(=O)N1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3Br)OC)OC)OC(=O)OCC)OC

InChI

InChI=1S/C25H30BrNO8/c1-6-33-24(28)27-9-8-15-11-21(31-4)23(35-25(29)34-7-2)13-17(15)19(27)10-16-12-20(30-3)22(32-5)14-18(16)26/h11-14,19H,6-10H2,1-5H3