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

Systemtic Name: 3-bromanyl-2-[4-(4-bromanylphenoxy)butylamino]-5-methyl-benzoic acid Openeye Name: 3-bromo-2-[4-(4-bromophenoxy)butylamino]-5-methyl-benzoic acid CAS Name: 3-bromo-2-[4-(4-bromophenoxy)butylamino]-5-methylbenzoic acid IUPAC Name: 3-bromo-2-[4-(4-bromophenoxy)butylamino]-5-methylbenzoic acid Traditional Name: 3-bromo-2-[4-(4-bromophenoxy)butylamino]-5-methyl-benzoic acid Formula: C18H19Br2NO3 MolecularWeight: 457.15636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)NCCCCOC2=CC=C(C=C2)Br)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)NCCCCOC2=CC=C(C=C2)Br)Br

InChI

InChI=1S/C18H19Br2NO3/c1-12-10-15(18(22)23)17(16(20)11-12)21-8-2-3-9-24-14-6-4-13(19)5-7-14/h4-7,10-11,21H,2-3,8-9H2,1H3,(H,22,23)