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

Systemtic Name: 4-[1-cyano-2-(3-ethoxy-5-iodanyl-4-propan-2-yloxy-phenyl)ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-(3-ethoxy-5-iodo-4-isopropoxy-phenyl)vinyl]benzoic acid CAS Name: 4-[1-cyano-2-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-(3-ethoxy-5-iodo-4-isopropoxy-phenyl)vinyl]benzoic acid Formula: C21H20INO4 MolecularWeight: 477.29227

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)I)OC(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)I)OC(C)C

InChI

InChI=1S/C21H20INO4/c1-4-26-19-11-14(10-18(22)20(19)27-13(2)3)9-17(12-23)15-5-7-16(8-6-15)21(24)25/h5-11,13H,4H2,1-3H3,(H,24,25)