(4-methoxyphenyl) 3-(1-adamantyl)-3-methyl-2H-1-benzofuran-6-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C1C=CC(=C2)C(=O)OC3=CC=C(C=C3)OC)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1(COC2=C1C=CC(=C2)C(=O)OC3=CC=C(C=C3)OC)C45CC6CC(C4)CC(C6)C5

InChI

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