2-[4-[3,5-bis(chloranyl)phenoxy]butylamino]-5-bromanyl-benzoic acid

Systemtic Name: 2-[4-[3,5-bis(chloranyl)phenoxy]butylamino]-5-bromanyl-benzoic acid Openeye Name: 5-bromo-2-[4-(3,5-dichlorophenoxy)butylamino]benzoic acid CAS Name: 5-bromo-2-[4-(3,5-dichlorophenoxy)butylamino]benzoic acid IUPAC Name: 5-bromo-2-[4-(3,5-dichlorophenoxy)butylamino]benzoic acid Traditional Name: 5-bromo-2-[4-(3,5-dichlorophenoxy)butylamino]benzoic acid Formula: C17H16BrCl2NO3 MolecularWeight: 433.12384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)O)NCCCCOC2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)O)NCCCCOC2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C17H16BrCl2NO3/c18-11-3-4-16(15(7-11)17(22)23)21-5-1-2-6-24-14-9-12(19)8-13(20)10-14/h3-4,7-10,21H,1-2,5-6H2,(H,22,23)