methyl 3-[2-[2-(1-adamantylcarbonylamino)ethanoyloxy]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[2-(1-adamantylcarbonylamino)ethanoyloxy]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[2-(adamantane-1-carbonylamino)acetyl]oxyacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethoxy]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(adamantane-1-carbonylamino)acetyl]oxyacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[2-(adamantane-1-carbonylamino)acetyl]oxyacetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C24H30N2O6 MolecularWeight: 442.5048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H30N2O6/c1-14-3-4-18(22(29)31-2)8-19(14)26-20(27)13-32-21(28)12-25-23(30)24-9-15-5-16(10-24)7-17(6-15)11-24/h3-4,8,15-17H,5-7,9-13H2,1-2H3,(H,25,30)(H,26,27)