(4-cyano-4-hexyl-cyclohexyl) 4-methoxybenzoate

Systemtic Name: (4-cyano-4-hexyl-cyclohexyl) 4-methoxybenzoate Openeye Name: (4-cyano-4-hexyl-cyclohexyl) 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid (4-cyano-4-hexylcyclohexyl) ester IUPAC Name: (4-cyano-4-hexylcyclohexyl) 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid (4-cyano-4-hexyl-cyclohexyl) ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)OC)C#N

Isomeric SMILES

CCCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)OC)C#N

InChI

InChI=1S/C21H29NO3/c1-3-4-5-6-13-21(16-22)14-11-19(12-15-21)25-20(23)17-7-9-18(24-2)10-8-17/h7-10,19H,3-6,11-15H2,1-2H3