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

Systemtic Name: (E)-2-(cyclopentylcarbonylamino)-3-[4-(2-iodanylphenoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-(cyclopentanecarbonylamino)-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-[[cyclopentyl(oxo)methyl]amino]-3-[4-(2-iodophenoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-(cyclopentanecarbonylamino)-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-(cyclopentanecarbonylamino)-3-[4-(2-iodophenoxy)phenyl]acrylic acid Formula: C21H20INO4 MolecularWeight: 477.29227

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC(=CC2=CC=C(C=C2)OC3=CC=CC=C3I)C(=O)O

Isomeric SMILES

C1CCC(C1)C(=O)N/C(=C/C2=CC=C(C=C2)OC3=CC=CC=C3I)/C(=O)O

InChI

InChI=1S/C21H20INO4/c22-17-7-3-4-8-19(17)27-16-11-9-14(10-12-16)13-18(21(25)26)23-20(24)15-5-1-2-6-15/h3-4,7-13,15H,1-2,5-6H2,(H,23,24)(H,25,26)/b18-13+