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

Systemtic Name: 2-azanyl-3-[3,5-bis(bromanyl)-2-methyl-4-(4-oxidanylphenoxy)phenyl]propanoic acid Openeye Name: 2-amino-3-[3,5-dibromo-4-(4-hydroxyphenoxy)-2-methyl-phenyl]propanoic acid CAS Name: 2-amino-3-[3,5-dibromo-4-(4-hydroxyphenoxy)-2-methylphenyl]propanoic acid IUPAC Name: 2-amino-3-[3,5-dibromo-4-(4-hydroxyphenoxy)-2-methylphenyl]propanoic acid Traditional Name: 2-amino-3-[3,5-dibromo-4-(4-hydroxyphenoxy)-2-methyl-phenyl]propionic acid Formula: C16H15Br2NO4 MolecularWeight: 445.1026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15Br2NO4/c1-8-9(7-13(19)16(21)22)6-12(17)15(14(8)18)23-11-4-2-10(20)3-5-11/h2-6,13,20H,7,19H2,1H3,(H,21,22)