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

Systemtic Name: methyl 5-[[3-(3,4-dimethylphenyl)-1-adamantyl]carbonyloxymethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[3-(3,4-dimethylphenyl)adamantane-1-carbonyl]oxymethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[3-(3,4-dimethylphenyl)-1-adamantyl]-oxomethoxy]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(3,4-dimethylphenyl)adamantane-1-carbonyl]oxymethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[3-(3,4-dimethylphenyl)adamantane-1-carbonyl]oxymethyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C27H32O5 MolecularWeight: 436.53998

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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)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C27H32O5/c1-16-5-6-21(7-17(16)2)26-10-19-8-20(11-26)13-27(12-19,15-26)25(29)31-14-22-9-23(18(3)32-22)24(28)30-4/h5-7,9,19-20H,8,10-15H2,1-4H3