ethyl (E)-2-cyano-3-(3-ethoxy-5-iodanyl-4-phenylmethoxy-phenyl)prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-(3-ethoxy-5-iodanyl-4-phenylmethoxy-phenyl)prop-2-enoate Openeye Name: ethyl (E)-3-(4-benzyloxy-3-ethoxy-5-iodo-phenyl)-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-benzoxy-3-ethoxy-5-iodo-phenyl)-2-cyano-acrylic acid ethyl ester Formula: C21H20INO4 MolecularWeight: 477.29227

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)OCC)I)OCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)OCC)I)OCC2=CC=CC=C2

InChI

InChI=1S/C21H20INO4/c1-3-25-19-12-16(10-17(13-23)21(24)26-4-2)11-18(22)20(19)27-14-15-8-6-5-7-9-15/h5-12H,3-4,14H2,1-2H3/b17-10+