3-(2,5-dimethylpyrrol-1-yl)butanoic acid

Systemtic Name: 3-(2,5-dimethylpyrrol-1-yl)butanoic acid Openeye Name: 3-(2,5-dimethylpyrrol-1-yl)butanoic acid CAS Name: 3-(2,5-dimethyl-1-pyrrolyl)butanoic acid IUPAC Name: 3-(2,5-dimethylpyrrol-1-yl)butanoic acid Traditional Name: 3-(2,5-dimethylpyrrol-1-yl)butyric acid Formula: C10H15NO2 MolecularWeight: 181.2316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C(C)CC(=O)O)C

Isomeric SMILES

CC1=CC=C(N1C(C)CC(=O)O)C

InChI

InChI=1S/C10H15NO2/c1-7-4-5-8(2)11(7)9(3)6-10(12)13/h4-5,9H,6H2,1-3H3,(H,12,13)