4-(3-methylbutanoyl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(3-methylbutanoyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(3-methylbutanoyl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-(3-methyl-1-oxobutyl)-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(3-methylbutanoyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 4-isovaleryl-1H-pyrrole-2-carboxylic acid Formula: C10H13NO3 MolecularWeight: 195.21512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CNC(=C1)C(=O)O

Isomeric SMILES

CC(C)CC(=O)C1=CNC(=C1)C(=O)O

InChI

InChI=1S/C10H13NO3/c1-6(2)3-9(12)7-4-8(10(13)14)11-5-7/h4-6,11H,3H2,1-2H3,(H,13,14)