propyl 2-cyano-2-ethyl-4-methyl-pentanoate

Systemtic Name: propyl 2-cyano-2-ethyl-4-methyl-pentanoate Openeye Name: propyl 2-cyano-2-ethyl-4-methyl-pentanoate CAS Name: 2-cyano-2-ethyl-4-methylpentanoic acid propyl ester IUPAC Name: propyl 2-cyano-2-ethyl-4-methylpentanoate Traditional Name: 2-cyano-2-ethyl-4-methyl-valeric acid propyl ester Formula: C12H21NO2 MolecularWeight: 211.30064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO2/c1-5-7-15-11(14)12(6-2,9-13)8-10(3)4/h10H,5-8H2,1-4H3