2-[[1-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]naphthalen-2-yl]carbonylamino]-2-methyl-butanoic acid

Systemtic Name: 2-[[1-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]naphthalen-2-yl]carbonylamino]-2-methyl-butanoic acid Openeye Name: 2-[[1-[(4-bromo-2-fluoro-phenyl)methoxy]naphthalene-2-carbonyl]amino]-2-methyl-butanoic acid CAS Name: 2-[[[1-[(4-bromo-2-fluorophenyl)methoxy]-2-naphthalenyl]-oxomethyl]amino]-2-methylbutanoic acid IUPAC Name: 2-[[1-[(4-bromo-2-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]-2-methylbutanoic acid Traditional Name: 2-[[1-(4-bromo-2-fluoro-benzyl)oxy-2-naphthoyl]amino]-2-methyl-butyric acid Formula: C23H21BrFNO4 MolecularWeight: 474.319543

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C=C1)OCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C=C1)OCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C23H21BrFNO4/c1-3-23(2,22(28)29)26-21(27)18-11-9-14-6-4-5-7-17(14)20(18)30-13-15-8-10-16(24)12-19(15)25/h4-12H,3,13H2,1-2H3,(H,26,27)(H,28,29)