3-bromanyl-2-[3-(4-chloranylphenoxy)propylamino]-5-methyl-benzoic acid

Systemtic Name: 3-bromanyl-2-[3-(4-chloranylphenoxy)propylamino]-5-methyl-benzoic acid Openeye Name: 3-bromo-2-[3-(4-chlorophenoxy)propylamino]-5-methyl-benzoic acid CAS Name: 3-bromo-2-[3-(4-chlorophenoxy)propylamino]-5-methylbenzoic acid IUPAC Name: 3-bromo-2-[3-(4-chlorophenoxy)propylamino]-5-methylbenzoic acid Traditional Name: 3-bromo-2-[3-(4-chlorophenoxy)propylamino]-5-methyl-benzoic acid Formula: C17H17BrClNO3 MolecularWeight: 398.67878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrClNO3/c1-11-9-14(17(21)22)16(15(18)10-11)20-7-2-8-23-13-5-3-12(19)4-6-13/h3-6,9-10,20H,2,7-8H2,1H3,(H,21,22)