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

Systemtic Name: methyl 2-[2-[(4-bromanyl-3-methyl-phenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[2-[(4-bromo-3-methyl-phenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-[(4-bromo-3-methylanilino)-oxomethyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(4-bromo-3-methylphenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-[(4-bromo-3-methyl-phenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C24H29BrN2O5 MolecularWeight: 505.40146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC(=C(C=C3)Br)C)CC(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC(=C(C=C3)Br)C)CC(=O)OC)OCC

InChI

InChI=1S/C24H29BrN2O5/c1-5-31-21-12-16-9-10-27(24(29)26-17-7-8-19(25)15(3)11-17)20(14-23(28)30-4)18(16)13-22(21)32-6-2/h7-8,11-13,20H,5-6,9-10,14H2,1-4H3,(H,26,29)