(E)-2-acetamido-3-[3-ethoxy-4-[(3-iodanylphenyl)methoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-[3-ethoxy-4-[(3-iodanylphenyl)methoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-[3-ethoxy-4-[(3-iodophenyl)methoxy]phenyl]prop-2-enoic acid CAS Name: (E)-2-acetamido-3-[3-ethoxy-4-[(3-iodophenyl)methoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-[3-ethoxy-4-[(3-iodophenyl)methoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-[3-ethoxy-4-(3-iodobenzyl)oxy-phenyl]acrylic acid Formula: C20H20INO5 MolecularWeight: 481.28097

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C(=O)O)NC(=O)C)OCC2=CC(=CC=C2)I

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C(=O)O)/NC(=O)C)OCC2=CC(=CC=C2)I

InChI

InChI=1S/C20H20INO5/c1-3-26-19-11-14(10-17(20(24)25)22-13(2)23)7-8-18(19)27-12-15-5-4-6-16(21)9-15/h4-11H,3,12H2,1-2H3,(H,22,23)(H,24,25)/b17-10+