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

Systemtic Name: 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-[(4-bromo-2-fluoro-phenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[(4-bromo-2-fluoroanilino)-oxomethyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-[(4-bromo-2-fluorophenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-[(4-bromo-2-fluoro-phenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C22H24BrFN2O5 MolecularWeight: 495.338763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrFN2O5/c1-3-30-19-9-13-7-8-26(22(29)25-17-6-5-14(23)10-16(17)24)18(12-21(27)28)15(13)11-20(19)31-4-2/h5-6,9-11,18H,3-4,7-8,12H2,1-2H3,(H,25,29)(H,27,28)