2,5-dimethyl-1-(4-methylpentan-2-yl)pyrrole-3-carboxylic acid

Systemtic Name: 2,5-dimethyl-1-(4-methylpentan-2-yl)pyrrole-3-carboxylic acid Openeye Name: 1-(1,3-dimethylbutyl)-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-1-(4-methylpentan-2-yl)-3-pyrrolecarboxylic acid IUPAC Name: 2,5-dimethyl-1-(4-methylpentan-2-yl)pyrrole-3-carboxylic acid Traditional Name: 1-(1,3-dimethylbutyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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