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

Systemtic Name: (E)-3-[4-(2-iodanylphenoxy)phenyl]-2-(2-phenylbutanoylamino)prop-2-enoic acid Openeye Name: (E)-3-[4-(2-iodophenoxy)phenyl]-2-(2-phenylbutanoylamino)prop-2-enoic acid CAS Name: (E)-3-[4-(2-iodophenoxy)phenyl]-2-[(1-oxo-2-phenylbutyl)amino]-2-propenoic acid IUPAC Name: (E)-3-[4-(2-iodophenoxy)phenyl]-2-(2-phenylbutanoylamino)prop-2-enoic acid Traditional Name: (E)-3-[4-(2-iodophenoxy)phenyl]-2-(2-phenylbutanoylamino)acrylic acid Formula: C25H22INO4 MolecularWeight: 527.35095

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22INO4/c1-2-20(18-8-4-3-5-9-18)24(28)27-22(25(29)30)16-17-12-14-19(15-13-17)31-23-11-7-6-10-21(23)26/h3-16,20H,2H2,1H3,(H,27,28)(H,29,30)/b22-16+