(1-cyanocyclohexyl) 3,5-dimethylbenzoate

Systemtic Name: (1-cyanocyclohexyl) 3,5-dimethylbenzoate Openeye Name: (1-cyanocyclohexyl) 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid (1-cyanocyclohexyl) ester IUPAC Name: (1-cyanocyclohexyl) 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid (1-cyanocyclohexyl) ester Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OC2(CCCCC2)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OC2(CCCCC2)C#N)C

InChI

InChI=1S/C16H19NO2/c1-12-8-13(2)10-14(9-12)15(18)19-16(11-17)6-4-3-5-7-16/h8-10H,3-7H2,1-2H3