methyl 5-[[3-(3,4-dimethylphenyl)-1-adamantyl]carbonyloxymethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[3-(3,4-dimethylphenyl)-1-adamantyl]carbonyloxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[[3-(3,4-dimethylphenyl)adamantane-1-carbonyl]oxymethyl]furan-2-carboxylate CAS Name: 5-[[[3-(3,4-dimethylphenyl)-1-adamantyl]-oxomethoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(3,4-dimethylphenyl)adamantane-1-carbonyl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[3-(3,4-dimethylphenyl)adamantane-1-carbonyl]oxymethyl]furan-2-carboxylic acid methyl ester Formula: C26H30O5 MolecularWeight: 422.5134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC5=CC=C(O5)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC5=CC=C(O5)C(=O)OC)C

InChI

InChI=1S/C26H30O5/c1-16-4-5-20(8-17(16)2)25-10-18-9-19(11-25)13-26(12-18,15-25)24(28)30-14-21-6-7-22(31-21)23(27)29-3/h4-8,18-19H,9-15H2,1-3H3