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

Systemtic Name: O2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(1-adamantylamino)-2-oxo-ethyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(1-adamantylamino)-2-oxoethyl] ester O4-ethyl ester IUPAC Name: 2-O-[2-(1-adamantylamino)-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(1-adamantylamino)-2-keto-ethyl] ester O4-ethyl ester Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C22H30N2O5/c1-4-28-20(26)18-12(2)19(23-13(18)3)21(27)29-11-17(25)24-22-8-14-5-15(9-22)7-16(6-14)10-22/h14-16,23H,4-11H2,1-3H3,(H,24,25)