2-[[1-[(4-chloranyl-3-fluoranyl-phenyl)methoxy]naphthalen-2-yl]carbonylamino]-2-methyl-propanoic acid

Systemtic Name: 2-[[1-[(4-chloranyl-3-fluoranyl-phenyl)methoxy]naphthalen-2-yl]carbonylamino]-2-methyl-propanoic acid Openeye Name: 2-[[1-[(4-chloro-3-fluoro-phenyl)methoxy]naphthalene-2-carbonyl]amino]-2-methyl-propanoic acid CAS Name: 2-[[[1-[(4-chloro-3-fluorophenyl)methoxy]-2-naphthalenyl]-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[[1-[(4-chloro-3-fluorophenyl)methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid Traditional Name: 2-[[1-(4-chloro-3-fluoro-benzyl)oxy-2-naphthoyl]amino]-2-methyl-propionic acid Formula: C22H19ClFNO4 MolecularWeight: 415.841963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClFNO4/c1-22(2,21(27)28)25-20(26)16-9-8-14-5-3-4-6-15(14)19(16)29-12-13-7-10-17(23)18(24)11-13/h3-11H,12H2,1-2H3,(H,25,26)(H,27,28)