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

Systemtic Name: dimethyl 5-[3-(1-adamantylcarbonylamino)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 5-[3-(adamantane-1-carbonylamino)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(adamantane-1-carbonylamino)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H30N2O6 MolecularWeight: 442.5048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O6/c1-31-21(28)17-8-18(22(29)32-2)10-19(9-17)26-20(27)3-4-25-23(30)24-11-14-5-15(12-24)7-16(6-14)13-24/h8-10,14-16H,3-7,11-13H2,1-2H3,(H,25,30)(H,26,27)