(Z)-3-[4-(2-iodanylphenoxy)phenyl]-2-[(2-oxidanyl-2-phenyl-ethanoyl)amino]prop-2-enoic acid

Systemtic Name: (Z)-3-[4-(2-iodanylphenoxy)phenyl]-2-[(2-oxidanyl-2-phenyl-ethanoyl)amino]prop-2-enoic acid Openeye Name: (Z)-2-[(2-hydroxy-2-phenyl-acetyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid CAS Name: (Z)-2-[(2-hydroxy-1-oxo-2-phenylethyl)amino]-3-[4-(2-iodophenoxy)phenyl]-2-propenoic acid IUPAC Name: (Z)-2-[(2-hydroxy-2-phenylacetyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid Traditional Name: (Z)-3-[4-(2-iodophenoxy)phenyl]-2-(mandeloylamino)acrylic acid Formula: C23H18INO5 MolecularWeight: 515.29719

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC(=CC2=CC=C(C=C2)OC3=CC=CC=C3I)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)N/C(=C\C2=CC=C(C=C2)OC3=CC=CC=C3I)/C(=O)O)O

InChI

InChI=1S/C23H18INO5/c24-18-8-4-5-9-20(18)30-17-12-10-15(11-13-17)14-19(23(28)29)25-22(27)21(26)16-6-2-1-3-7-16/h1-14,21,26H,(H,25,27)(H,28,29)/b19-14-