3-cyano-4-propan-2-yl-heptanoic acid

Systemtic Name: 3-cyano-4-propan-2-yl-heptanoic acid Openeye Name: 3-cyano-4-isopropyl-heptanoic acid CAS Name: 3-cyano-4-propan-2-ylheptanoic acid IUPAC Name: 3-cyano-4-propan-2-ylheptanoic acid Traditional Name: 3-cyano-4-isopropyl-enanthic acid Formula: C11H19NO2 MolecularWeight: 197.27406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19NO2/c1-4-5-10(8(2)3)9(7-12)6-11(13)14/h8-10H,4-6H2,1-3H3,(H,13,14)