5-bromanyl-2-[4-(4-chloranylphenoxy)butylamino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCCNC2=C(C=C(C=C2)Br)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1OCCCCNC2=C(C=C(C=C2)Br)C(=O)O)Cl

InChI

InChI=1S/C17H17BrClNO3/c18-12-3-8-16(15(11-12)17(21)22)20-9-1-2-10-23-14-6-4-13(19)5-7-14/h3-8,11,20H,1-2,9-10H2,(H,21,22)