2-[4-(4-bromanylphenoxy)butylamino]-3-chloranyl-benzoic acid

Systemtic Name: 2-[4-(4-bromanylphenoxy)butylamino]-3-chloranyl-benzoic acid Openeye Name: 2-[4-(4-bromophenoxy)butylamino]-3-chloro-benzoic acid CAS Name: 2-[4-(4-bromophenoxy)butylamino]-3-chlorobenzoic acid IUPAC Name: 2-[4-(4-bromophenoxy)butylamino]-3-chlorobenzoic acid Traditional Name: 2-[4-(4-bromophenoxy)butylamino]-3-chloro-benzoic acid Formula: C17H17BrClNO3 MolecularWeight: 398.67878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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