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

Systemtic Name: 2-[[1-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]naphthalen-2-yl]carbonylamino]butanoic acid Openeye Name: 2-[[1-[(4-bromo-2-fluoro-phenyl)methoxy]naphthalene-2-carbonyl]amino]butanoic acid CAS Name: 2-[[[1-[(4-bromo-2-fluorophenyl)methoxy]-2-naphthalenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 2-[[1-[(4-bromo-2-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]butanoic acid Traditional Name: 2-[[1-(4-bromo-2-fluoro-benzyl)oxy-2-naphthoyl]amino]butyric acid Formula: C22H19BrFNO4 MolecularWeight: 460.292963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrFNO4/c1-2-19(22(27)28)25-21(26)17-10-8-13-5-3-4-6-16(13)20(17)29-12-14-7-9-15(23)11-18(14)24/h3-11,19H,2,12H2,1H3,(H,25,26)(H,27,28)