2-[(5-bromanyl-2-oxidanyl-phenyl)carbonylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[(5-bromanyl-2-oxidanyl-phenyl)carbonylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[(5-bromo-2-hydroxy-benzoyl)amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[(5-bromo-2-hydroxyphenyl)-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[(5-bromo-2-hydroxybenzoyl)amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[(5-bromo-2-hydroxy-benzoyl)amino]-3-(4-phenylphenyl)propionic acid Formula: C22H18BrNO4 MolecularWeight: 440.28662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C22H18BrNO4/c23-17-10-11-20(25)18(13-17)21(26)24-19(22(27)28)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-11,13,19,25H,12H2,(H,24,26)(H,27,28)