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

Systemtic Name: 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-[(4-bromo-2-fluoro-phenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[(4-bromo-2-fluoroanilino)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-[(4-bromo-2-fluorophenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-[(4-bromo-2-fluoro-phenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C20H20BrFN2O5 MolecularWeight: 467.285603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=C(C=C(C=C3)Br)F)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=C(C=C(C=C3)Br)F)CC(=O)O)OC

InChI

InChI=1S/C20H20BrFN2O5/c1-28-17-7-11-5-6-24(16(10-19(25)26)13(11)9-18(17)29-2)20(27)23-15-4-3-12(21)8-14(15)22/h3-4,7-9,16H,5-6,10H2,1-2H3,(H,23,27)(H,25,26)