4-[[3-[2-(4-iodanylphenoxy)ethanoylamino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3-[2-(4-iodanylphenoxy)ethanoylamino]phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[3-[[2-(4-iodophenoxy)acetyl]amino]benzoyl]amino]benzoic acid CAS Name: 4-[[[3-[[2-(4-iodophenoxy)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-[[2-(4-iodophenoxy)acetyl]amino]benzoyl]amino]benzoic acid Traditional Name: 4-[[3-[[2-(4-iodophenoxy)acetyl]amino]benzoyl]amino]benzoic acid Formula: C22H17IN2O5 MolecularWeight: 516.28525

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)COC2=CC=C(C=C2)I)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)COC2=CC=C(C=C2)I)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H17IN2O5/c23-16-6-10-19(11-7-16)30-13-20(26)24-18-3-1-2-15(12-18)21(27)25-17-8-4-14(5-9-17)22(28)29/h1-12H,13H2,(H,24,26)(H,25,27)(H,28,29)