methyl 5-butan-2-yl-4-ethyl-2-methanoyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-butan-2-yl-4-ethyl-2-methanoyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-ethyl-2-formyl-5-sec-butyl-1H-pyrrole-3-carboxylate CAS Name: 5-butan-2-yl-4-ethyl-2-formyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-butan-2-yl-4-ethyl-2-formyl-1H-pyrrole-3-carboxylate Traditional Name: 4-ethyl-2-formyl-5-sec-butyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)C=O)C(C)CC

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)C=O)C(C)CC

InChI

InChI=1S/C13H19NO3/c1-5-8(3)12-9(6-2)11(13(16)17-4)10(7-15)14-12/h7-8,14H,5-6H2,1-4H3