(E)-2-benzamido-3-[3-ethoxy-5-iodanyl-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[3-ethoxy-5-iodanyl-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[3-ethoxy-5-iodo-4-(o-tolylmethoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[3-ethoxy-5-iodo-4-[(2-methylphenyl)methoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[3-ethoxy-5-iodo-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[3-ethoxy-5-iodo-4-(2-methylbenzyl)oxy-phenyl]acrylic acid Formula: C26H24INO5 MolecularWeight: 557.37693

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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)I)OCC3=CC=CC=C3C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)I)OCC3=CC=CC=C3C

InChI

InChI=1S/C26H24INO5/c1-3-32-23-15-18(13-21(27)24(23)33-16-20-12-8-7-9-17(20)2)14-22(26(30)31)28-25(29)19-10-5-4-6-11-19/h4-15H,3,16H2,1-2H3,(H,28,29)(H,30,31)/b22-14+