methyl 3-[2-(1-adamantyl)-4-methoxy-phenyl]-3-methyl-2H-1-benzofuran-5-carboxylate

Systemtic Name: methyl 3-[2-(1-adamantyl)-4-methoxy-phenyl]-3-methyl-2H-1-benzofuran-5-carboxylate Openeye Name: methyl 3-[2-(1-adamantyl)-4-methoxy-phenyl]-3-methyl-2H-benzofuran-5-carboxylate CAS Name: 3-[2-(1-adamantyl)-4-methoxyphenyl]-3-methyl-2H-benzofuran-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(1-adamantyl)-4-methoxyphenyl]-3-methyl-2H-1-benzofuran-5-carboxylate Traditional Name: 3-[2-(1-adamantyl)-4-methoxy-phenyl]-3-methyl-coumaran-5-carboxylic acid methyl ester Formula: C28H32O4 MolecularWeight: 432.55128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32O4/c1-27(16-32-25-7-4-20(11-24(25)27)26(29)31-3)22-6-5-21(30-2)12-23(22)28-13-17-8-18(14-28)10-19(9-17)15-28/h4-7,11-12,17-19H,8-10,13-16H2,1-3H3