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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrCl2NO3/c1-10-7-12(17(22)23)16(13(18)8-10)21-5-2-6-24-11-3-4-14(19)15(20)9-11/h3-4,7-9,21H,2,5-6H2,1H3,(H,22,23)