(3-iodanyl-4-methoxy-phenyl) 3-(1-cyano-2-oxidanylidene-3-phenyl-propyl)benzoate

Systemtic Name: (3-iodanyl-4-methoxy-phenyl) 3-(1-cyano-2-oxidanylidene-3-phenyl-propyl)benzoate Openeye Name: (3-iodo-4-methoxy-phenyl) 3-(1-cyano-2-oxo-3-phenyl-propyl)benzoate CAS Name: 3-(1-cyano-2-oxo-3-phenylpropyl)benzoic acid (3-iodo-4-methoxyphenyl) ester IUPAC Name: (3-iodo-4-methoxyphenyl) 3-(1-cyano-2-oxo-3-phenylpropyl)benzoate Traditional Name: 3-(1-cyano-2-keto-3-phenyl-propyl)benzoic acid (3-iodo-4-methoxy-phenyl) ester Formula: C24H18INO4 MolecularWeight: 511.30849

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OC(=O)C2=CC(=CC=C2)C(C#N)C(=O)CC3=CC=CC=C3)I

Isomeric SMILES

COC1=C(C=C(C=C1)OC(=O)C2=CC(=CC=C2)C(C#N)C(=O)CC3=CC=CC=C3)I

InChI

InChI=1S/C24H18INO4/c1-29-23-11-10-19(14-21(23)25)30-24(28)18-9-5-8-17(13-18)20(15-26)22(27)12-16-6-3-2-4-7-16/h2-11,13-14,20H,12H2,1H3