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

Systemtic Name: (E)-2-acetamido-3-[3-iodanyl-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-[3-iodo-5-methoxy-4-(2-methylallyloxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-acetamido-3-[3-iodo-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-[3-iodo-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-[3-iodo-5-methoxy-4-(2-methylallyloxy)phenyl]acrylic acid Formula: C16H18INO5 MolecularWeight: 431.22229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18INO5/c1-9(2)8-23-15-12(17)5-11(7-14(15)22-4)6-13(16(20)21)18-10(3)19/h5-7H,1,8H2,2-4H3,(H,18,19)(H,20,21)/b13-6+