2-acetamido-3-[2,3,5-tris(fluoranyl)-4-phenylmethoxy-phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[2,3,5-tris(fluoranyl)-4-phenylmethoxy-phenyl]propanoic acid Openeye Name: 2-acetamido-3-(4-benzyloxy-2,3,5-trifluoro-phenyl)propanoic acid CAS Name: 2-acetamido-3-(2,3,5-trifluoro-4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-acetamido-3-(2,3,5-trifluoro-4-phenylmethoxyphenyl)propanoic acid Traditional Name: 2-acetamido-3-(4-benzoxy-2,3,5-trifluoro-phenyl)propionic acid Formula: C18H16F3NO4 MolecularWeight: 367.31915

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C(=C1F)F)OCC2=CC=CC=C2)F)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC(=C(C(=C1F)F)OCC2=CC=CC=C2)F)C(=O)O

InChI

InChI=1S/C18H16F3NO4/c1-10(23)22-14(18(24)25)8-12-7-13(19)17(16(21)15(12)20)26-9-11-5-3-2-4-6-11/h2-7,14H,8-9H2,1H3,(H,22,23)(H,24,25)