2-(4,5-dimethyl-2-propyl-1H-pyrrol-3-yl)propanoic acid

Systemtic Name: 2-(4,5-dimethyl-2-propyl-1H-pyrrol-3-yl)propanoic acid Openeye Name: 2-(4,5-dimethyl-2-propyl-1H-pyrrol-3-yl)propanoic acid CAS Name: 2-(4,5-dimethyl-2-propyl-1H-pyrrol-3-yl)propanoic acid IUPAC Name: 2-(4,5-dimethyl-2-propyl-1H-pyrrol-3-yl)propanoic acid Traditional Name: 2-(4,5-dimethyl-2-propyl-1H-pyrrol-3-yl)propionic acid Formula: C12H19NO2 MolecularWeight: 209.28476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO2/c1-5-6-10-11(8(3)12(14)15)7(2)9(4)13-10/h8,13H,5-6H2,1-4H3,(H,14,15)