O4-[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester O2-ethyl ester IUPAC Name: 4-O-[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester O2-ethyl ester Formula: C23H31N3O6 MolecularWeight: 445.50874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C23H31N3O6/c1-4-31-21(29)19-12(2)18(13(3)24-19)20(28)32-11-17(27)25-22(30)26-23-8-14-5-15(9-23)7-16(6-14)10-23/h14-16,24H,4-11H2,1-3H3,(H2,25,26,27,30)