2-[3-[3,5-bis(chloranyl)phenoxy]propylamino]-3-bromanyl-5-methyl-benzoic acid

Systemtic Name: 2-[3-[3,5-bis(chloranyl)phenoxy]propylamino]-3-bromanyl-5-methyl-benzoic acid Openeye Name: 3-bromo-2-[3-(3,5-dichlorophenoxy)propylamino]-5-methyl-benzoic acid CAS Name: 3-bromo-2-[3-(3,5-dichlorophenoxy)propylamino]-5-methylbenzoic acid IUPAC Name: 3-bromo-2-[3-(3,5-dichlorophenoxy)propylamino]-5-methylbenzoic acid Traditional Name: 3-bromo-2-[3-(3,5-dichlorophenoxy)propylamino]-5-methyl-benzoic acid Formula: C17H16BrCl2NO3 MolecularWeight: 433.12384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)NCCCOC2=CC(=CC(=C2)Cl)Cl)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)NCCCOC2=CC(=CC(=C2)Cl)Cl)Br

InChI

InChI=1S/C17H16BrCl2NO3/c1-10-5-14(17(22)23)16(15(18)6-10)21-3-2-4-24-13-8-11(19)7-12(20)9-13/h5-9,21H,2-4H2,1H3,(H,22,23)