3-[3,5-bis(bromanyl)-4-(4-methoxyphenoxy)phenyl]-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoic acid

Systemtic Name: 3-[3,5-bis(bromanyl)-4-(4-methoxyphenoxy)phenyl]-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoic acid Openeye Name: 3-[3,5-dibromo-4-(4-methoxyphenoxy)phenyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid CAS Name: 3-[3,5-dibromo-4-(4-methoxyphenoxy)phenyl]-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid IUPAC Name: 3-[3,5-dibromo-4-(4-methoxyphenoxy)phenyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid Traditional Name: 3-[3,5-dibromo-4-(4-methoxyphenoxy)phenyl]-2-[(2,2,2-trifluoroacetyl)amino]propionic acid Formula: C18H14Br2F3NO5 MolecularWeight: 541.11067

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(C=C(C=C2Br)CC(C(=O)O)NC(=O)C(F)(F)F)Br

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(C=C(C=C2Br)CC(C(=O)O)NC(=O)C(F)(F)F)Br

InChI

InChI=1S/C18H14Br2F3NO5/c1-28-10-2-4-11(5-3-10)29-15-12(19)6-9(7-13(15)20)8-14(16(25)26)24-17(27)18(21,22)23/h2-7,14H,8H2,1H3,(H,24,27)(H,25,26)