methyl 2-(4-cyanophenyl)-3-(3,5-dimethoxyphenyl)-6-methoxy-1-benzofuran-4-carboxylate

Systemtic Name: methyl 2-(4-cyanophenyl)-3-(3,5-dimethoxyphenyl)-6-methoxy-1-benzofuran-4-carboxylate Openeye Name: methyl 2-(4-cyanophenyl)-3-(3,5-dimethoxyphenyl)-6-methoxy-benzofuran-4-carboxylate CAS Name: 2-(4-cyanophenyl)-3-(3,5-dimethoxyphenyl)-6-methoxy-4-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-(4-cyanophenyl)-3-(3,5-dimethoxyphenyl)-6-methoxy-1-benzofuran-4-carboxylate Traditional Name: 2-(4-cyanophenyl)-3-(3,5-dimethoxyphenyl)-6-methoxy-benzofuran-4-carboxylic acid methyl ester Formula: C26H21NO6 MolecularWeight: 443.44804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=C(OC3=C2C(=CC(=C3)OC)C(=O)OC)C4=CC=C(C=C4)C#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=C(OC3=C2C(=CC(=C3)OC)C(=O)OC)C4=CC=C(C=C4)C#N)OC

InChI

InChI=1S/C26H21NO6/c1-29-18-9-17(10-19(11-18)30-2)23-24-21(26(28)32-4)12-20(31-3)13-22(24)33-25(23)16-7-5-15(14-27)6-8-16/h5-13H,1-4H3