3-[3-(1-adamantyl)-4-methoxy-phenyl]-3-methyl-2H-1-benzofuran-6-carboxylic acid

Systemtic Name: 3-[3-(1-adamantyl)-4-methoxy-phenyl]-3-methyl-2H-1-benzofuran-6-carboxylic acid Openeye Name: 3-[3-(1-adamantyl)-4-methoxy-phenyl]-3-methyl-2H-benzofuran-6-carboxylic acid CAS Name: 3-[3-(1-adamantyl)-4-methoxyphenyl]-3-methyl-2H-benzofuran-6-carboxylic acid IUPAC Name: 3-[3-(1-adamantyl)-4-methoxyphenyl]-3-methyl-2H-1-benzofuran-6-carboxylic acid Traditional Name: 3-[3-(1-adamantyl)-4-methoxy-phenyl]-3-methyl-coumaran-6-carboxylic acid Formula: C27H30O4 MolecularWeight: 418.5247

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C1C=CC(=C2)C(=O)O)C3=CC(=C(C=C3)OC)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1(COC2=C1C=CC(=C2)C(=O)O)C3=CC(=C(C=C3)OC)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H30O4/c1-26(15-31-24-10-19(25(28)29)3-5-21(24)26)20-4-6-23(30-2)22(11-20)27-12-16-7-17(13-27)9-18(8-16)14-27/h3-6,10-11,16-18H,7-9,12-15H2,1-2H3,(H,28,29)