3-[1-(5-bromanyl-2-oxidanyl-phenyl)propylamino]benzoic acid

Systemtic Name: 3-[1-(5-bromanyl-2-oxidanyl-phenyl)propylamino]benzoic acid Openeye Name: 3-[1-(5-bromo-2-hydroxy-phenyl)propylamino]benzoic acid CAS Name: 3-[1-(5-bromo-2-hydroxyphenyl)propylamino]benzoic acid IUPAC Name: 3-[1-(5-bromo-2-hydroxyphenyl)propylamino]benzoic acid Traditional Name: 3-[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=CC(=C2)C(=O)O

Isomeric SMILES

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

InChI

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