ethyl 3,5-dimethyl-4-[(2S)-2-methylbutanoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[(2S)-2-methylbutanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[(2S)-2-methylbutanoyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[(2S)-2-methyl-1-oxobutyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[(2S)-2-methylbutanoyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[(2S)-2-methylbutanoyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C1=C(NC(=C1C)C(=O)OCC)C

Isomeric SMILES

CC[C@H](C)C(=O)C1=C(NC(=C1C)C(=O)OCC)C

InChI

InChI=1S/C14H21NO3/c1-6-8(3)13(16)11-9(4)12(15-10(11)5)14(17)18-7-2/h8,15H,6-7H2,1-5H3/t8-/m0/s1