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

Systemtic Name: methyl 3-[3-(1-adamantyl)-4-methoxy-phenyl]-3-methyl-2H-1-benzofuran-6-carboxylate Openeye Name: methyl 3-[3-(1-adamantyl)-4-methoxy-phenyl]-3-methyl-2H-benzofuran-6-carboxylate CAS Name: 3-[3-(1-adamantyl)-4-methoxyphenyl]-3-methyl-2H-benzofuran-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(1-adamantyl)-4-methoxyphenyl]-3-methyl-2H-1-benzofuran-6-carboxylate Traditional Name: 3-[3-(1-adamantyl)-4-methoxy-phenyl]-3-methyl-coumaran-6-carboxylic acid methyl ester Formula: C28H32O4 MolecularWeight: 432.55128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32O4/c1-27(16-32-25-11-20(26(29)31-3)4-6-22(25)27)21-5-7-24(30-2)23(12-21)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