dimethyl 5-[2-(1-adamantylcarbonylamino)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(1-adamantylcarbonylamino)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(adamantane-1-carbonylamino)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(adamantane-1-carbonylamino)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(adamantane-1-carbonylamino)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6/c1-30-20(27)16-6-17(21(28)31-2)8-18(7-16)25-19(26)12-24-22(29)23-9-13-3-14(10-23)5-15(4-13)11-23/h6-8,13-15H,3-5,9-12H2,1-2H3,(H,24,29)(H,25,26)