[2-cyano-4-(3-methylbutyl)phenyl] 4-(4-octylcyclohexyl)benzoate

Systemtic Name: [2-cyano-4-(3-methylbutyl)phenyl] 4-(4-octylcyclohexyl)benzoate Openeye Name: (2-cyano-4-isopentyl-phenyl) 4-(4-octylcyclohexyl)benzoate CAS Name: 4-(4-octylcyclohexyl)benzoic acid [2-cyano-4-(3-methylbutyl)phenyl] ester IUPAC Name: [2-cyano-4-(3-methylbutyl)phenyl] 4-(4-octylcyclohexyl)benzoate Traditional Name: 4-(4-octylcyclohexyl)benzoic acid (2-cyano-4-isoamyl-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)CCC(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C33H45NO2/c1-4-5-6-7-8-9-10-26-13-16-28(17-14-26)29-18-20-30(21-19-29)33(35)36-32-22-15-27(12-11-25(2)3)23-31(32)24-34/h15,18-23,25-26,28H,4-14,16-17H2,1-3H3