(4-pentylcyclohexyl) 2,3-dicyano-4-[2-(4-pentylcyclohexyl)ethyl]benzoate

Systemtic Name: (4-pentylcyclohexyl) 2,3-dicyano-4-[2-(4-pentylcyclohexyl)ethyl]benzoate Openeye Name: (4-pentylcyclohexyl) 2,3-dicyano-4-[2-(4-pentylcyclohexyl)ethyl]benzoate CAS Name: 2,3-dicyano-4-[2-(4-pentylcyclohexyl)ethyl]benzoic acid (4-pentylcyclohexyl) ester IUPAC Name: (4-pentylcyclohexyl) 2,3-dicyano-4-[2-(4-pentylcyclohexyl)ethyl]benzoate Traditional Name: 4-[2-(4-amylcyclohexyl)ethyl]-2,3-dicyano-benzoic acid (4-amylcyclohexyl) ester Formula: C33H48N2O2 MolecularWeight: 504.74642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)CCC2=C(C(=C(C=C2)C(=O)OC3CCC(CC3)CCCCC)C#N)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)CCC2=C(C(=C(C=C2)C(=O)OC3CCC(CC3)CCCCC)C#N)C#N

InChI

InChI=1S/C33H48N2O2/c1-3-5-7-9-25-11-13-27(14-12-25)15-18-28-19-22-30(32(24-35)31(28)23-34)33(36)37-29-20-16-26(17-21-29)10-8-6-4-2/h19,22,25-27,29H,3-18,20-21H2,1-2H3