(E)-2-benzamido-3-(4-butoxy-3-ethoxy-5-iodanyl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-(4-butoxy-3-ethoxy-5-iodanyl-phenyl)prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-(4-butoxy-3-ethoxy-5-iodo-phenyl)prop-2-enoic acid CAS Name: (E)-2-benzamido-3-(4-butoxy-3-ethoxy-5-iodophenyl)-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-(4-butoxy-3-ethoxy-5-iodophenyl)prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-(4-butoxy-3-ethoxy-5-iodo-phenyl)acrylic acid Formula: C22H24INO5 MolecularWeight: 509.33413

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1I)C=C(C(=O)O)NC(=O)C2=CC=CC=C2)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1I)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)OCC

InChI

InChI=1S/C22H24INO5/c1-3-5-11-29-20-17(23)12-15(14-19(20)28-4-2)13-18(22(26)27)24-21(25)16-9-7-6-8-10-16/h6-10,12-14H,3-5,11H2,1-2H3,(H,24,25)(H,26,27)/b18-13+