ethyl 2-cyano-4,4-dimethyl-hept-6-ynoate

Systemtic Name: ethyl 2-cyano-4,4-dimethyl-hept-6-ynoate Openeye Name: ethyl 2-cyano-4,4-dimethyl-hept-6-ynoate CAS Name: 2-cyano-4,4-dimethyl-6-heptynoic acid ethyl ester IUPAC Name: ethyl 2-cyano-4,4-dimethylhept-6-ynoate Traditional Name: 2-cyano-4,4-dimethyl-hept-6-ynoic acid ethyl ester Formula: C12H17NO2 MolecularWeight: 207.26888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2/c1-5-7-12(3,4)8-10(9-13)11(14)15-6-2/h1,10H,6-8H2,2-4H3