(E)-3-[4-(2-iodanylphenoxy)phenyl]-2-(3-phenylpropanoylamino)prop-2-enoic acid

Systemtic Name: (E)-3-[4-(2-iodanylphenoxy)phenyl]-2-(3-phenylpropanoylamino)prop-2-enoic acid Openeye Name: (E)-3-[4-(2-iodophenoxy)phenyl]-2-(3-phenylpropanoylamino)prop-2-enoic acid CAS Name: (E)-3-[4-(2-iodophenoxy)phenyl]-2-[(1-oxo-3-phenylpropyl)amino]-2-propenoic acid IUPAC Name: (E)-3-[4-(2-iodophenoxy)phenyl]-2-(3-phenylpropanoylamino)prop-2-enoic acid Traditional Name: (E)-2-(hydrocinnamoylamino)-3-[4-(2-iodophenoxy)phenyl]acrylic acid Formula: C24H20INO4 MolecularWeight: 513.32437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20INO4/c25-20-8-4-5-9-22(20)30-19-13-10-18(11-14-19)16-21(24(28)29)26-23(27)15-12-17-6-2-1-3-7-17/h1-11,13-14,16H,12,15H2,(H,26,27)(H,28,29)/b21-16+