methyl 5-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]furan-2-carboxylate CAS Name: 5-[[3-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]furan-2-carboxylate Traditional Name: 5-[3-(1-adamantylcarbamoylamino)propanoyloxymethyl]furan-2-carboxylic acid methyl ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28N2O6/c1-27-19(25)17-3-2-16(29-17)12-28-18(24)4-5-22-20(26)23-21-9-13-6-14(10-21)8-15(7-13)11-21/h2-3,13-15H,4-12H2,1H3,(H2,22,23,26)