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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C1C=CC(=C2)C(=O)O)C3=CC(=C(C=C3)C45CC6CC(C4)CC(C6)C5)OC

Isomeric SMILES

CC1C(OC2=C1C=CC(=C2)C(=O)O)C3=CC(=C(C=C3)C45CC6CC(C4)CC(C6)C5)OC

InChI

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