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

Systemtic Name: O2-[(2R)-1-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[(1R)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-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-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] ester O4-ethyl ester IUPAC Name: 2-O-[(2R)-1-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-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-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-keto-1-methyl-ethyl] ester O4-ethyl ester Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OC(C)C(=O)NC2CCCC(C2C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)O[C@H](C)C(=O)N[C@H]2CCC[C@@H]([C@@H]2C)C)C

InChI

InChI=1S/C21H32N2O5/c1-7-27-20(25)17-13(4)18(22-14(17)5)21(26)28-15(6)19(24)23-16-10-8-9-11(2)12(16)3/h11-12,15-16,22H,7-10H2,1-6H3,(H,23,24)/t11-,12-,15+,16-/m0/s1