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

Systemtic Name: O4-[1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-(1-adamantylamino)-1-methyl-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-[1-(1-adamantylamino)-1-oxopropan-2-yl] ester O2-ethyl ester IUPAC Name: 4-O-[1-(1-adamantylamino)-1-oxopropan-2-yl] 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-adamantylamino)-2-keto-1-methyl-ethyl] ester O2-ethyl ester Formula: C23H32N2O5 MolecularWeight: 416.51058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O5/c1-5-29-22(28)19-12(2)18(13(3)24-19)21(27)30-14(4)20(26)25-23-9-15-6-16(10-23)8-17(7-15)11-23/h14-17,24H,5-11H2,1-4H3,(H,25,26)