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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1COC2=C1C=CC(=C2)C(=O)OC3=CC(=C(C=C3)C45CC6CC(C4)CC(C6)C5)OC

Isomeric SMILES

CC1COC2=C1C=CC(=C2)C(=O)OC3=CC(=C(C=C3)C45CC6CC(C4)CC(C6)C5)OC

InChI

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