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

Systemtic Name: (E)-2-acetamido-3-(4-butoxy-3-ethoxy-5-iodanyl-phenyl)prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(4-butoxy-3-ethoxy-5-iodo-phenyl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(4-butoxy-3-ethoxy-5-iodophenyl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(4-butoxy-3-ethoxy-5-iodophenyl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(4-butoxy-3-ethoxy-5-iodo-phenyl)acrylic acid Formula: C17H22INO5 MolecularWeight: 447.26475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22INO5/c1-4-6-7-24-16-13(18)8-12(10-15(16)23-5-2)9-14(17(21)22)19-11(3)20/h8-10H,4-7H2,1-3H3,(H,19,20)(H,21,22)/b14-9+