4-[1-cyano-2-(3-iodanyl-5-methoxy-4-propan-2-yloxy-phenyl)ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-(3-iodanyl-5-methoxy-4-propan-2-yloxy-phenyl)ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-(3-iodo-4-isopropoxy-5-methoxy-phenyl)vinyl]benzoic acid CAS Name: 4-[1-cyano-2-(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-(3-iodo-4-isopropoxy-5-methoxy-phenyl)vinyl]benzoic acid Formula: C20H18INO4 MolecularWeight: 463.26569

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1I)C=C(C#N)C2=CC=C(C=C2)C(=O)O)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1I)C=C(C#N)C2=CC=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C20H18INO4/c1-12(2)26-19-17(21)9-13(10-18(19)25-3)8-16(11-22)14-4-6-15(7-5-14)20(23)24/h4-10,12H,1-3H3,(H,23,24)