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4-[1-(5-bromanyl-2-oxidanyl-phenyl)propylamino]benzoic acid

4-[1-(5-bromanyl-2-oxidanyl-phenyl)propylamino]benzoic acid

Systemtic Name:4-[1-(5-bromanyl-2-oxidanyl-phenyl)propylamino]benzoic acid
Openeye Name:4-[1-(5-bromo-2-hydroxy-phenyl)propylamino]benzoic acid
CAS Name:4-[1-(5-bromo-2-hydroxyphenyl)propylamino]benzoic acid
IUPAC Name:4-[1-(5-bromo-2-hydroxyphenyl)propylamino]benzoic acid
Traditional Name:4-[1-(5-bromo-2-hydroxy-phenyl)propylamino]benzoic acid
Formula: C16H16BrNO3
MolecularWeight: 350.20714
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)NC2=CC=C(C=C2)C(=O)O


Isomeric SMILES

CCC(C1=C(C=CC(=C1)Br)O)NC2=CC=C(C=C2)C(=O)O


InChI

InChI=1S/C16H16BrNO3/c1-2-14(13-9-11(17)5-8-15(13)19)18-12-6-3-10(4-7-12)16(20)21/h3-9,14,18-19H,2H2,1H3,(H,20,21)


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