[2-cyano-4-(2-methylbutyl)phenyl] 4-(4-octylcyclohexyl)benzoate

Systemtic Name: [2-cyano-4-(2-methylbutyl)phenyl] 4-(4-octylcyclohexyl)benzoate Openeye Name: [2-cyano-4-(2-methylbutyl)phenyl] 4-(4-octylcyclohexyl)benzoate CAS Name: 4-(4-octylcyclohexyl)benzoic acid [2-cyano-4-(2-methylbutyl)phenyl] ester IUPAC Name: [2-cyano-4-(2-methylbutyl)phenyl] 4-(4-octylcyclohexyl)benzoate Traditional Name: 4-(4-octylcyclohexyl)benzoic acid [2-cyano-4-(2-methylbutyl)phenyl] ester Formula: C33H45NO2 MolecularWeight: 487.7159

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CC(C)CC)C#N

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CC(C)CC)C#N

InChI

InChI=1S/C33H45NO2/c1-4-6-7-8-9-10-11-26-12-15-28(16-13-26)29-17-19-30(20-18-29)33(35)36-32-21-14-27(22-25(3)5-2)23-31(32)24-34/h14,17-21,23,25-26,28H,4-13,15-16,22H2,1-3H3