[(1R)-1-cyanoethyl] 3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [(1R)-1-cyanoethyl] ester Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(C)O)C)C(=O)OC(C)C#N

Isomeric SMILES

CC1=C(NC(=C1[C@H](C)O)C)C(=O)O[C@H](C)C#N

InChI

InChI=1S/C12H16N2O3/c1-6(5-13)17-12(16)11-7(2)10(9(4)15)8(3)14-11/h6,9,14-15H,1-4H3/t6-,9+/m1/s1