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

Systemtic Name: 2-[4-[2,5-bis(chloranyl)phenoxy]butylamino]-3-bromanyl-5-methyl-benzoic acid Openeye Name: 3-bromo-2-[4-(2,5-dichlorophenoxy)butylamino]-5-methyl-benzoic acid CAS Name: 3-bromo-2-[4-(2,5-dichlorophenoxy)butylamino]-5-methylbenzoic acid IUPAC Name: 3-bromo-2-[4-(2,5-dichlorophenoxy)butylamino]-5-methylbenzoic acid Traditional Name: 3-bromo-2-[4-(2,5-dichlorophenoxy)butylamino]-5-methyl-benzoic acid Formula: C18H18BrCl2NO3 MolecularWeight: 447.15042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrCl2NO3/c1-11-8-13(18(23)24)17(14(19)9-11)22-6-2-3-7-25-16-10-12(20)4-5-15(16)21/h4-5,8-10,22H,2-3,6-7H2,1H3,(H,23,24)