(E)-2-benzamido-3-(3,4-diethoxy-5-iodanyl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-(3,4-diethoxy-5-iodanyl-phenyl)prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-(3,4-diethoxy-5-iodo-phenyl)prop-2-enoic acid CAS Name: (E)-2-benzamido-3-(3,4-diethoxy-5-iodophenyl)-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-(3,4-diethoxy-5-iodophenyl)prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-(3,4-diethoxy-5-iodo-phenyl)acrylic acid Formula: C20H20INO5 MolecularWeight: 481.28097

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C20H20INO5/c1-3-26-17-12-13(10-15(21)18(17)27-4-2)11-16(20(24)25)22-19(23)14-8-6-5-7-9-14/h5-12H,3-4H2,1-2H3,(H,22,23)(H,24,25)/b16-11+