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

Systemtic Name: 2-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]ethanoic acid Openeye Name: 2-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)acetic acid CAS Name: 2-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]acetic acid IUPAC Name: 2-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]acetic acid Traditional Name: 2-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)acetic acid Formula: C12H19NO2 MolecularWeight: 209.28476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)CC(=O)O

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)CC(=O)O

InChI

InChI=1S/C12H19NO2/c1-8(2)7-13-9(3)5-11(10(13)4)6-12(14)15/h5,8H,6-7H2,1-4H3,(H,14,15)