ethyl (3R)-2-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: ethyl (3R)-2-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl (3R)-2-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(3-bromo-4-hydroxy-5-methoxy-benzyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CC=CC=C2CN1CC3=CC(=C(C(=C3)Br)O)OC

Isomeric SMILES

CCOC(=O)[C@H]1CC2=CC=CC=C2CN1CC3=CC(=C(C(=C3)Br)O)OC

InChI

InChI=1S/C20H22BrNO4/c1-3-26-20(24)17-10-14-6-4-5-7-15(14)12-22(17)11-13-8-16(21)19(23)18(9-13)25-2/h4-9,17,23H,3,10-12H2,1-2H3/t17-/m1/s1