4-[[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(3,5-dibromo-2-methoxy-benzoyl)amino]methyl]benzoic acid CAS Name: 4-[[[(3,5-dibromo-2-methoxyphenyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(3,5-dibromo-2-methoxybenzoyl)amino]methyl]benzoic acid Traditional Name: 4-[[(3,5-dibromo-2-methoxy-benzoyl)amino]methyl]benzoic acid Formula: C16H13Br2NO4 MolecularWeight: 443.08672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NCC2=CC=C(C=C2)C(=O)O)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NCC2=CC=C(C=C2)C(=O)O)Br)Br

InChI

InChI=1S/C16H13Br2NO4/c1-23-14-12(6-11(17)7-13(14)18)15(20)19-8-9-2-4-10(5-3-9)16(21)22/h2-7H,8H2,1H3,(H,19,20)(H,21,22)