methyl 2-[(1R)-2-(5-bromanyl-2-chloranyl-phenyl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[(1R)-2-(5-bromanyl-2-chloranyl-phenyl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[(1R)-2-(5-bromo-2-chloro-benzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1R)-2-[(5-bromo-2-chlorophenyl)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(1R)-2-(5-bromo-2-chlorobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-2-(5-bromo-2-chloro-benzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C21H21BrClNO5 MolecularWeight: 482.75214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=C(C=CC(=C3)Br)Cl)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)C3=C(C=CC(=C3)Br)Cl)CC(=O)OC)OC

InChI

InChI=1S/C21H21BrClNO5/c1-27-18-8-12-6-7-24(21(26)15-9-13(22)4-5-16(15)23)17(11-20(25)29-3)14(12)10-19(18)28-2/h4-5,8-10,17H,6-7,11H2,1-3H3/t17-/m1/s1