4-[[5-(hydroxymethyl)-7-(3-methoxyphenyl)-1-benzofuran-2-yl]-(3-methylimidazol-4-yl)-oxidanyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(hydroxymethyl)-7-(3-methoxyphenyl)-1-benzofuran-2-yl]-(3-methylimidazol-4-yl)-oxidanyl-methyl]benzenecarbonitrile Openeye Name: 4-[hydroxy-[5-(hydroxymethyl)-7-(3-methoxyphenyl)benzofuran-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[hydroxy-[5-(hydroxymethyl)-7-(3-methoxyphenyl)-2-benzofuranyl]-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[hydroxy-[5-(hydroxymethyl)-7-(3-methoxyphenyl)-1-benzofuran-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[hydroxy-[7-(3-methoxyphenyl)-5-methylol-benzofuran-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile Formula: C28H23N3O4 MolecularWeight: 465.49992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=CC(=CC(=C4O3)C5=CC(=CC=C5)OC)CO)O

Isomeric SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=CC(=CC(=C4O3)C5=CC(=CC=C5)OC)CO)O

InChI

InChI=1S/C28H23N3O4/c1-31-17-30-15-25(31)28(33,22-8-6-18(14-29)7-9-22)26-13-21-10-19(16-32)11-24(27(21)35-26)20-4-3-5-23(12-20)34-2/h3-13,15,17,32-33H,16H2,1-2H3