5-bromanyl-2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethylamino]benzoic acid Openeye Name: 5-bromo-2-[2-(4-chloro-3,5-dimethyl-phenoxy)ethylamino]benzoic acid CAS Name: 5-bromo-2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]benzoic acid IUPAC Name: 5-bromo-2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]benzoic acid Traditional Name: 5-bromo-2-[2-(4-chloro-3,5-dimethyl-phenoxy)ethylamino]benzoic acid Formula: C17H17BrClNO3 MolecularWeight: 398.67878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCNC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCNC2=C(C=C(C=C2)Br)C(=O)O

InChI

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