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

Systemtic Name: (E)-2-(cyclohexylcarbonylamino)-3-[4-(2-iodanylphenoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-(cyclohexanecarbonylamino)-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-[[cyclohexyl(oxo)methyl]amino]-3-[4-(2-iodophenoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-(cyclohexanecarbonylamino)-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-(cyclohexanecarbonylamino)-3-[4-(2-iodophenoxy)phenyl]acrylic acid Formula: C22H22INO4 MolecularWeight: 491.31885

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(=CC2=CC=C(C=C2)OC3=CC=CC=C3I)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(=O)N/C(=C/C2=CC=C(C=C2)OC3=CC=CC=C3I)/C(=O)O

InChI

InChI=1S/C22H22INO4/c23-18-8-4-5-9-20(18)28-17-12-10-15(11-13-17)14-19(22(26)27)24-21(25)16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2,(H,24,25)(H,26,27)/b19-14+