3-(1-adamantyl)-2-(4-methoxyphenyl)-1-benzofuran-5-carboxylic acid

Systemtic Name: 3-(1-adamantyl)-2-(4-methoxyphenyl)-1-benzofuran-5-carboxylic acid Openeye Name: 3-(1-adamantyl)-2-(4-methoxyphenyl)benzofuran-5-carboxylic acid CAS Name: 3-(1-adamantyl)-2-(4-methoxyphenyl)-5-benzofurancarboxylic acid IUPAC Name: 3-(1-adamantyl)-2-(4-methoxyphenyl)-1-benzofuran-5-carboxylic acid Traditional Name: 3-(1-adamantyl)-2-(4-methoxyphenyl)benzofuran-5-carboxylic acid Formula: C26H26O4 MolecularWeight: 402.48224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H26O4/c1-29-20-5-2-18(3-6-20)24-23(21-11-19(25(27)28)4-7-22(21)30-24)26-12-15-8-16(13-26)10-17(9-15)14-26/h2-7,11,15-17H,8-10,12-14H2,1H3,(H,27,28)