(E)-2-(1-adamantylcarbonylamino)-3-[4-(2-iodanylphenoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-(1-adamantylcarbonylamino)-3-[4-(2-iodanylphenoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-(adamantane-1-carbonylamino)-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-[[1-adamantyl(oxo)methyl]amino]-3-[4-(2-iodophenoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-(adamantane-1-carbonylamino)-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-(adamantane-1-carbonylamino)-3-[4-(2-iodophenoxy)phenyl]acrylic acid Formula: C26H26INO4 MolecularWeight: 543.39341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=CC4=CC=C(C=C4)OC5=CC=CC=C5I)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N/C(=C/C4=CC=C(C=C4)OC5=CC=CC=C5I)/C(=O)O

InChI

InChI=1S/C26H26INO4/c27-21-3-1-2-4-23(21)32-20-7-5-16(6-8-20)12-22(24(29)30)28-25(31)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-8,12,17-19H,9-11,13-15H2,(H,28,31)(H,29,30)/b22-12+