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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O5/c1-11-17(20(26)28-4)12(2)23-18(11)21(27)29-13(3)19(25)24-22-8-14-5-15(9-22)7-16(6-14)10-22/h13-16,23H,5-10H2,1-4H3,(H,24,25)