ethyl 4-cyano-4-heptyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-cyano-4-heptyl-cyclohexane-1-carboxylate Openeye Name: ethyl 4-cyano-4-heptyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-heptyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-4-heptylcyclohexane-1-carboxylate Traditional Name: 4-cyano-4-heptyl-cyclohexanecarboxylic acid ethyl ester Formula: C17H29NO2 MolecularWeight: 279.41766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C(=O)OCC)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C(=O)OCC)C#N

InChI

InChI=1S/C17H29NO2/c1-3-5-6-7-8-11-17(14-18)12-9-15(10-13-17)16(19)20-4-2/h15H,3-13H2,1-2H3