[4-(4-heptylcyclohexyl)phenyl] 4-cyanobenzoate

Systemtic Name: [4-(4-heptylcyclohexyl)phenyl] 4-cyanobenzoate Openeye Name: [4-(4-heptylcyclohexyl)phenyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [4-(4-heptylcyclohexyl)phenyl] ester IUPAC Name: [4-(4-heptylcyclohexyl)phenyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [4-(4-heptylcyclohexyl)phenyl] ester Formula: C27H33NO2 MolecularWeight: 403.55642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H33NO2/c1-2-3-4-5-6-7-21-8-12-23(13-9-21)24-16-18-26(19-17-24)30-27(29)25-14-10-22(20-28)11-15-25/h10-11,14-19,21,23H,2-9,12-13H2,1H3