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

Systemtic Name: methyl 2-[2-[(4-bromanyl-3-methyl-phenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[2-[(4-bromo-3-methyl-phenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-[(4-bromo-3-methylanilino)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(4-bromo-3-methylphenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-[(4-bromo-3-methyl-phenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C22H25BrN2O5 MolecularWeight: 477.3483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)N2CCC3=CC(=C(C=C3C2CC(=O)OC)OC)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)N2CCC3=CC(=C(C=C3C2CC(=O)OC)OC)OC)Br

InChI

InChI=1S/C22H25BrN2O5/c1-13-9-15(5-6-17(13)23)24-22(27)25-8-7-14-10-19(28-2)20(29-3)11-16(14)18(25)12-21(26)30-4/h5-6,9-11,18H,7-8,12H2,1-4H3,(H,24,27)