methyl 4-[2-[2-(1-adamantylcarbonylamino)ethanoyloxy]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[2-(1-adamantylcarbonylamino)ethanoyloxy]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-(adamantane-1-carbonylamino)acetyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(adamantane-1-carbonylamino)acetyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[2-(adamantane-1-carbonylamino)acetyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C23H28N2O6 MolecularWeight: 428.47822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6/c1-30-21(28)17-2-4-18(5-3-17)25-19(26)13-31-20(27)12-24-22(29)23-9-14-6-15(10-23)8-16(7-14)11-23/h2-5,14-16H,6-13H2,1H3,(H,24,29)(H,25,26)