(E)-2-acetamido-3-(3-ethoxy-5-iodanyl-4-phenylmethoxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-(3-ethoxy-5-iodanyl-4-phenylmethoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(4-benzyloxy-3-ethoxy-5-iodo-phenyl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(4-benzoxy-3-ethoxy-5-iodo-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)I)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

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