ethyl 2-cyano-3-methyl-3-propyl-heptanoate

Systemtic Name: ethyl 2-cyano-3-methyl-3-propyl-heptanoate Openeye Name: ethyl 2-cyano-3-methyl-3-propyl-heptanoate CAS Name: 2-cyano-3-methyl-3-propylheptanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-methyl-3-propylheptanoate Traditional Name: 2-cyano-3-methyl-3-propyl-enanthic acid ethyl ester Formula: C14H25NO2 MolecularWeight: 239.3538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CCC)C(C#N)C(=O)OCC

Isomeric SMILES

CCCCC(C)(CCC)C(C#N)C(=O)OCC

InChI

InChI=1S/C14H25NO2/c1-5-8-10-14(4,9-6-2)12(11-15)13(16)17-7-3/h12H,5-10H2,1-4H3