3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]propanoate

Systemtic Name: 3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]propanoate Openeye Name: 3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)propanoate CAS Name: 3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]propanoate IUPAC Name: 3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]propanoate Traditional Name: 3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)propionate Formula: C13H20NO2- MolecularWeight: 222.3034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)CCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)CCC(=O)[O-]

InChI

InChI=1S/C13H21NO2/c1-9(2)8-14-10(3)7-12(11(14)4)5-6-13(15)16/h7,9H,5-6,8H2,1-4H3,(H,15,16)/p-1