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

Systemtic Name: methyl 4-[[2-[2-(1-adamantylcarbonylamino)ethanoyloxy]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[2-(adamantane-1-carbonylamino)acetyl]oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[2-(adamantane-1-carbonylamino)acetyl]oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[2-(adamantane-1-carbonylamino)acetyl]oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C24H30N2O6 MolecularWeight: 442.5048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O6/c1-31-22(29)19-4-2-15(3-5-19)12-25-20(27)14-32-21(28)13-26-23(30)24-9-16-6-17(10-24)8-18(7-16)11-24/h2-5,16-18H,6-14H2,1H3,(H,25,27)(H,26,30)