2-cyano-2-(2-methylpropyl)hexanoic acid

Systemtic Name: 2-cyano-2-(2-methylpropyl)hexanoic acid Openeye Name: 2-cyano-2-isobutyl-hexanoic acid CAS Name: 2-cyano-2-(2-methylpropyl)hexanoic acid IUPAC Name: 2-cyano-2-(2-methylpropyl)hexanoic acid Traditional Name: 2-cyano-2-isobutyl-hexanoic acid Formula: C11H19NO2 MolecularWeight: 197.27406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(C)C)(C#N)C(=O)O

Isomeric SMILES

CCCCC(CC(C)C)(C#N)C(=O)O

InChI

InChI=1S/C11H19NO2/c1-4-5-6-11(8-12,10(13)14)7-9(2)3/h9H,4-7H2,1-3H3,(H,13,14)