methyl 4-[2-(3-oxidanyl-1-adamantyl)ethanoyloxymethyl]benzoate

Systemtic Name: methyl 4-[2-(3-oxidanyl-1-adamantyl)ethanoyloxymethyl]benzoate Openeye Name: methyl 4-[[2-(3-hydroxy-1-adamantyl)acetyl]oxymethyl]benzoate CAS Name: 4-[[2-(3-hydroxy-1-adamantyl)-1-oxoethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-hydroxy-1-adamantyl)acetyl]oxymethyl]benzoate Traditional Name: 4-[[2-(3-hydroxy-1-adamantyl)acetyl]oxymethyl]benzoic acid methyl ester Formula: C21H26O5 MolecularWeight: 358.42814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)CC23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)CC23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C21H26O5/c1-25-19(23)17-4-2-14(3-5-17)12-26-18(22)11-20-7-15-6-16(8-20)10-21(24,9-15)13-20/h2-5,15-16,24H,6-13H2,1H3