(E)-2-benzamido-3-[3-iodanyl-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[3-iodanyl-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[3-iodo-5-methoxy-4-(2-methylallyloxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[3-iodo-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[3-iodo-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[3-iodo-5-methoxy-4-(2-methylallyloxy)phenyl]acrylic acid Formula: C21H20INO5 MolecularWeight: 493.29167

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)COC1=C(C=C(C=C1I)C=C(C(=O)O)NC(=O)C2=CC=CC=C2)OC

Isomeric SMILES

CC(=C)COC1=C(C=C(C=C1I)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)OC

InChI

InChI=1S/C21H20INO5/c1-13(2)12-28-19-16(22)9-14(11-18(19)27-3)10-17(21(25)26)23-20(24)15-7-5-4-6-8-15/h4-11H,1,12H2,2-3H3,(H,23,24)(H,25,26)/b17-10+