methyl 3-[2-(1-adamantylcarbonylamino)ethanoyloxymethyl]benzoate

Systemtic Name: methyl 3-[2-(1-adamantylcarbonylamino)ethanoyloxymethyl]benzoate Openeye Name: methyl 3-[[2-(adamantane-1-carbonylamino)acetyl]oxymethyl]benzoate CAS Name: 3-[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(adamantane-1-carbonylamino)acetyl]oxymethyl]benzoate Traditional Name: 3-[[2-(adamantane-1-carbonylamino)acetyl]oxymethyl]benzoic acid methyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H27NO5/c1-27-20(25)18-4-2-3-14(8-18)13-28-19(24)12-23-21(26)22-9-15-5-16(10-22)7-17(6-15)11-22/h2-4,8,15-17H,5-7,9-13H2,1H3,(H,23,26)