ethyl 4-(1-adamantylcarbonylamino)-2-diethoxyphosphoryl-butanoate

Systemtic Name: ethyl 4-(1-adamantylcarbonylamino)-2-diethoxyphosphoryl-butanoate Openeye Name: ethyl 4-(adamantane-1-carbonylamino)-2-diethoxyphosphoryl-butanoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]-2-diethoxyphosphorylbutanoic acid ethyl ester IUPAC Name: ethyl 4-(adamantane-1-carbonylamino)-2-diethoxyphosphorylbutanoate Traditional Name: 4-(adamantane-1-carbonylamino)-2-diethoxyphosphoryl-butyric acid ethyl ester Formula: C21H36NO6P MolecularWeight: 429.487401

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCNC(=O)C12CC3CC(C1)CC(C3)C2)P(=O)(OCC)OCC

Isomeric SMILES

CCOC(=O)C(CCNC(=O)C12CC3CC(C1)CC(C3)C2)P(=O)(OCC)OCC

InChI

InChI=1S/C21H36NO6P/c1-4-26-19(23)18(29(25,27-5-2)28-6-3)7-8-22-20(24)21-12-15-9-16(13-21)11-17(10-15)14-21/h15-18H,4-14H2,1-3H3,(H,22,24)