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

Systemtic Name: 3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]propanoic acid Openeye Name: 3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)propanoic acid CAS Name: 3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]propanoic acid IUPAC Name: 3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]propanoic acid Traditional Name: 3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)propionic acid Formula: C13H21NO2 MolecularWeight: 223.31134

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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)