(E)-2-benzamido-3-(3-iodanyl-5-methoxy-4-propoxy-phenyl)prop-2-enoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1I)C=C(C(=O)O)NC(=O)C2=CC=CC=C2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1I)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)OC

InChI

InChI=1S/C20H20INO5/c1-3-9-27-18-15(21)10-13(12-17(18)26-2)11-16(20(24)25)22-19(23)14-7-5-4-6-8-14/h4-8,10-12H,3,9H2,1-2H3,(H,22,23)(H,24,25)/b16-11+