2-[3-(1-adamantyl)-4-methoxy-phenyl]-1-benzofuran-5-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=C(O2)C=CC(=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=C(O2)C=CC(=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

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