diethyl 5-[3-(1-adamantylcarbonylamino)propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[3-(1-adamantylcarbonylamino)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[3-(adamantane-1-carbonylamino)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(adamantane-1-carbonylamino)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(adamantane-1-carbonylamino)propanoylamino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C26H34N2O6 MolecularWeight: 470.55796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OCC

InChI

InChI=1S/C26H34N2O6/c1-3-33-23(30)19-10-20(24(31)34-4-2)12-21(11-19)28-22(29)5-6-27-25(32)26-13-16-7-17(14-26)9-18(8-16)15-26/h10-12,16-18H,3-9,13-15H2,1-2H3,(H,27,32)(H,28,29)