ethyl 8-[4-(1-adamantylcarbamoylamino)butanoyloxy]octanoate

Systemtic Name: ethyl 8-[4-(1-adamantylcarbamoylamino)butanoyloxy]octanoate Openeye Name: ethyl 8-[4-(1-adamantylcarbamoylamino)butanoyloxy]octanoate CAS Name: 8-[4-[[(1-adamantylamino)-oxomethyl]amino]-1-oxobutoxy]octanoic acid ethyl ester IUPAC Name: ethyl 8-[4-(1-adamantylcarbamoylamino)butanoyloxy]octanoate Traditional Name: 8-[4-(1-adamantylcarbamoylamino)butanoyloxy]caprylic acid ethyl ester Formula: C25H42N2O5 MolecularWeight: 450.61138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCOC(=O)CCCNC(=O)NC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCOC(=O)CCCCCCCOC(=O)CCCNC(=O)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C25H42N2O5/c1-2-31-22(28)9-6-4-3-5-7-12-32-23(29)10-8-11-26-24(30)27-25-16-19-13-20(17-25)15-21(14-19)18-25/h19-21H,2-18H2,1H3,(H2,26,27,30)