4-[4-[(4-bromanyl-2-oxidanyl-phenyl)carbonylamino]phenyl]butanoic acid

Systemtic Name: 4-[4-[(4-bromanyl-2-oxidanyl-phenyl)carbonylamino]phenyl]butanoic acid Openeye Name: 4-[4-[(4-bromo-2-hydroxy-benzoyl)amino]phenyl]butanoic acid CAS Name: 4-[4-[[(4-bromo-2-hydroxyphenyl)-oxomethyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]butanoic acid Traditional Name: 4-[4-[(4-bromo-2-hydroxy-benzoyl)amino]phenyl]butyric acid Formula: C17H16BrNO4 MolecularWeight: 378.21724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC(=O)O)NC(=O)C2=C(C=C(C=C2)Br)O

Isomeric SMILES

C1=CC(=CC=C1CCCC(=O)O)NC(=O)C2=C(C=C(C=C2)Br)O

InChI

InChI=1S/C17H16BrNO4/c18-12-6-9-14(15(20)10-12)17(23)19-13-7-4-11(5-8-13)2-1-3-16(21)22/h4-10,20H,1-3H2,(H,19,23)(H,21,22)