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

Systemtic Name: 2-[3-(4-bromanylphenoxy)propylamino]-3-chloranyl-benzoic acid Openeye Name: 2-[3-(4-bromophenoxy)propylamino]-3-chloro-benzoic acid CAS Name: 2-[3-(4-bromophenoxy)propylamino]-3-chlorobenzoic acid IUPAC Name: 2-[3-(4-bromophenoxy)propylamino]-3-chlorobenzoic acid Traditional Name: 2-[3-(4-bromophenoxy)propylamino]-3-chloro-benzoic acid Formula: C16H15BrClNO3 MolecularWeight: 384.6522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrClNO3/c17-11-5-7-12(8-6-11)22-10-2-9-19-15-13(16(20)21)3-1-4-14(15)18/h1,3-8,19H,2,9-10H2,(H,20,21)