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

Systemtic Name: 2-[2-[(4-bromanyl-3-methyl-phenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-[(4-bromo-3-methyl-phenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[(4-bromo-3-methylanilino)-oxomethyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-[(4-bromo-3-methylphenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-[(4-bromo-3-methyl-phenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C23H27BrN2O5 MolecularWeight: 491.37488

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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)O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN2O5/c1-4-30-20-11-15-8-9-26(23(29)25-16-6-7-18(24)14(3)10-16)19(13-22(27)28)17(15)12-21(20)31-5-2/h6-7,10-12,19H,4-5,8-9,13H2,1-3H3,(H,25,29)(H,27,28)