2-acetamido-3-[3,5-bis(bromanyl)-2-methyl-4-(4-oxidanylphenoxy)phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[3,5-bis(bromanyl)-2-methyl-4-(4-oxidanylphenoxy)phenyl]propanoic acid Openeye Name: 2-acetamido-3-[3,5-dibromo-4-(4-hydroxyphenoxy)-2-methyl-phenyl]propanoic acid CAS Name: 2-acetamido-3-[3,5-dibromo-4-(4-hydroxyphenoxy)-2-methylphenyl]propanoic acid IUPAC Name: 2-acetamido-3-[3,5-dibromo-4-(4-hydroxyphenoxy)-2-methylphenyl]propanoic acid Traditional Name: 2-acetamido-3-[3,5-dibromo-4-(4-hydroxyphenoxy)-2-methyl-phenyl]propionic acid Formula: C18H17Br2NO5 MolecularWeight: 487.13928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1CC(C(=O)O)NC(=O)C)Br)OC2=CC=C(C=C2)O)Br

Isomeric SMILES

CC1=C(C(=C(C=C1CC(C(=O)O)NC(=O)C)Br)OC2=CC=C(C=C2)O)Br

InChI

InChI=1S/C18H17Br2NO5/c1-9-11(8-15(18(24)25)21-10(2)22)7-14(19)17(16(9)20)26-13-5-3-12(23)4-6-13/h3-7,15,23H,8H2,1-2H3,(H,21,22)(H,24,25)