(E)-2-benzamido-3-[3-ethoxy-4-[(3-iodanylphenyl)methoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[3-ethoxy-4-[(3-iodanylphenyl)methoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[3-ethoxy-4-[(3-iodophenyl)methoxy]phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[3-ethoxy-4-[(3-iodophenyl)methoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[3-ethoxy-4-[(3-iodophenyl)methoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[3-ethoxy-4-(3-iodobenzyl)oxy-phenyl]acrylic acid Formula: C25H22INO5 MolecularWeight: 543.35035

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C(=O)O)NC(=O)C2=CC=CC=C2)OCC3=CC(=CC=C3)I

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)OCC3=CC(=CC=C3)I

InChI

InChI=1S/C25H22INO5/c1-2-31-23-15-17(11-12-22(23)32-16-18-7-6-10-20(26)13-18)14-21(25(29)30)27-24(28)19-8-4-3-5-9-19/h3-15H,2,16H2,1H3,(H,27,28)(H,29,30)/b21-14+