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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)O[C@H](C)C(=O)NC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C23H32N2O5/c1-5-29-21(27)18-12(2)19(24-13(18)3)22(28)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)/t14-,15?,16?,17?,23?/m1/s1