4-butanoyl-3-methyl-5-propyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-butanoyl-3-methyl-5-propyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-butanoyl-3-methyl-5-propyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-methyl-4-(1-oxobutyl)-5-propyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-butanoyl-3-methyl-5-propyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-butyryl-3-methyl-5-propyl-1H-pyrrole-2-carboxylic acid Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(N1)C(=O)O)C)C(=O)CCC

Isomeric SMILES

CCCC1=C(C(=C(N1)C(=O)O)C)C(=O)CCC

InChI

InChI=1S/C13H19NO3/c1-4-6-9-11(10(15)7-5-2)8(3)12(14-9)13(16)17/h14H,4-7H2,1-3H3,(H,16,17)