[4-[4-cyano-4-(2-methylbutyl)cyclohexyl]phenyl] octanoate

Systemtic Name: [4-[4-cyano-4-(2-methylbutyl)cyclohexyl]phenyl] octanoate Openeye Name: [4-[4-cyano-4-(2-methylbutyl)cyclohexyl]phenyl] octanoate CAS Name: octanoic acid [4-[4-cyano-4-(2-methylbutyl)cyclohexyl]phenyl] ester IUPAC Name: [4-[4-cyano-4-(2-methylbutyl)cyclohexyl]phenyl] octanoate Traditional Name: caprylic acid [4-[4-cyano-4-(2-methylbutyl)cyclohexyl]phenyl] ester Formula: C26H39NO2 MolecularWeight: 397.59336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C2CCC(CC2)(CC(C)CC)C#N

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C2CCC(CC2)(CC(C)CC)C#N

InChI

InChI=1S/C26H39NO2/c1-4-6-7-8-9-10-25(28)29-24-13-11-22(12-14-24)23-15-17-26(20-27,18-16-23)19-21(3)5-2/h11-14,21,23H,4-10,15-19H2,1-3H3