3-bromanyl-2-[2-(4-bromanylphenoxy)ethylamino]-5-methyl-benzoic acid

Systemtic Name: 3-bromanyl-2-[2-(4-bromanylphenoxy)ethylamino]-5-methyl-benzoic acid Openeye Name: 3-bromo-2-[2-(4-bromophenoxy)ethylamino]-5-methyl-benzoic acid CAS Name: 3-bromo-2-[2-(4-bromophenoxy)ethylamino]-5-methylbenzoic acid IUPAC Name: 3-bromo-2-[2-(4-bromophenoxy)ethylamino]-5-methylbenzoic acid Traditional Name: 3-bromo-2-[2-(4-bromophenoxy)ethylamino]-5-methyl-benzoic acid Formula: C16H15Br2NO3 MolecularWeight: 429.1032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)NCCOC2=CC=C(C=C2)Br)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)NCCOC2=CC=C(C=C2)Br)Br

InChI

InChI=1S/C16H15Br2NO3/c1-10-8-13(16(20)21)15(14(18)9-10)19-6-7-22-12-4-2-11(17)3-5-12/h2-5,8-9,19H,6-7H2,1H3,(H,20,21)