tert-butyl 1-[(2-bromanyl-5-fluoranyl-phenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 1-[(2-bromanyl-5-fluoranyl-phenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-[(2-bromo-5-fluoro-phenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(2-bromo-5-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(2-bromo-5-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2-bromo-5-fluoro-benzyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H27BrFNO4 MolecularWeight: 480.367183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2C1CC3=C(C=CC(=C3)F)Br)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2C1CC3=C(C=CC(=C3)F)Br)OC)OC

InChI

InChI=1S/C23H27BrFNO4/c1-23(2,3)30-22(27)26-9-8-14-12-20(28-4)21(29-5)13-17(14)19(26)11-15-10-16(25)6-7-18(15)24/h6-7,10,12-13,19H,8-9,11H2,1-5H3