[4-(4-cyanophenyl)cyclohexyl] octanoate

Systemtic Name: [4-(4-cyanophenyl)cyclohexyl] octanoate Openeye Name: [4-(4-cyanophenyl)cyclohexyl] octanoate CAS Name: octanoic acid [4-(4-cyanophenyl)cyclohexyl] ester IUPAC Name: [4-(4-cyanophenyl)cyclohexyl] octanoate Traditional Name: caprylic acid [4-(4-cyanophenyl)cyclohexyl] ester Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1CCC(CC1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCC(=O)OC1CCC(CC1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H29NO2/c1-2-3-4-5-6-7-21(23)24-20-14-12-19(13-15-20)18-10-8-17(16-22)9-11-18/h8-11,19-20H,2-7,12-15H2,1H3