(2S)-1-(2-ethylbutanoyl)-3-methyl-2,5-dihydropyrrole-2-carboxylate

Systemtic Name: (2S)-1-(2-ethylbutanoyl)-3-methyl-2,5-dihydropyrrole-2-carboxylate Openeye Name: (2S)-1-(2-ethylbutanoyl)-3-methyl-2,5-dihydropyrrole-2-carboxylate CAS Name: (2S)-1-(2-ethyl-1-oxobutyl)-3-methyl-2,5-dihydropyrrole-2-carboxylate IUPAC Name: (2S)-1-(2-ethylbutanoyl)-3-methyl-2,5-dihydropyrrole-2-carboxylate Traditional Name: (2S)-1-(2-ethylbutanoyl)-3-methyl-3-pyrroline-2-carboxylate Formula: C12H18NO3- MolecularWeight: 224.27622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CC=C(C1C(=O)[O-])C

Isomeric SMILES

CCC(CC)C(=O)N1CC=C([C@H]1C(=O)[O-])C

InChI

InChI=1S/C12H19NO3/c1-4-9(5-2)11(14)13-7-6-8(3)10(13)12(15)16/h6,9-10H,4-5,7H2,1-3H3,(H,15,16)/p-1/t10-/m0/s1