2-cyano-5-methyl-2-(3-methylbut-2-enyl)hex-4-enoic acid

Systemtic Name: 2-cyano-5-methyl-2-(3-methylbut-2-enyl)hex-4-enoic acid Openeye Name: 2-cyano-5-methyl-2-(3-methylbut-2-enyl)hex-4-enoic acid CAS Name: 2-cyano-5-methyl-2-(3-methylbut-2-enyl)-4-hexenoic acid IUPAC Name: 2-cyano-5-methyl-2-(3-methylbut-2-enyl)hex-4-enoic acid Traditional Name: 2-cyano-5-methyl-2-(3-methylbut-2-enyl)hex-4-enoic acid Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2/c1-10(2)5-7-13(9-14,12(15)16)8-6-11(3)4/h5-6H,7-8H2,1-4H3,(H,15,16)