2-(2-chloranylethanoylamino)-3-(4-fluoranyl-3-methoxy-phenyl)propanoic acid

Systemtic Name: 2-(2-chloranylethanoylamino)-3-(4-fluoranyl-3-methoxy-phenyl)propanoic acid Openeye Name: 2-[(2-chloroacetyl)amino]-3-(4-fluoro-3-methoxy-phenyl)propanoic acid CAS Name: 2-[(2-chloro-1-oxoethyl)amino]-3-(4-fluoro-3-methoxyphenyl)propanoic acid IUPAC Name: 2-[(2-chloroacetyl)amino]-3-(4-fluoro-3-methoxyphenyl)propanoic acid Traditional Name: 2-[(2-chloroacetyl)amino]-3-(4-fluoro-3-methoxy-phenyl)propionic acid Formula: C12H13ClFNO4 MolecularWeight: 289.687323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(C(=O)O)NC(=O)CCl)F

Isomeric SMILES

COC1=C(C=CC(=C1)CC(C(=O)O)NC(=O)CCl)F

InChI

InChI=1S/C12H13ClFNO4/c1-19-10-5-7(2-3-8(10)14)4-9(12(17)18)15-11(16)6-13/h2-3,5,9H,4,6H2,1H3,(H,15,16)(H,17,18)