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

Systemtic Name: (4-heptylcyclohexyl) 2,3-dicyano-4-[2-(4-heptylcyclohexyl)ethyl]benzoate Openeye Name: (4-heptylcyclohexyl) 2,3-dicyano-4-[2-(4-heptylcyclohexyl)ethyl]benzoate CAS Name: 2,3-dicyano-4-[2-(4-heptylcyclohexyl)ethyl]benzoic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 2,3-dicyano-4-[2-(4-heptylcyclohexyl)ethyl]benzoate Traditional Name: 2,3-dicyano-4-[2-(4-heptylcyclohexyl)ethyl]benzoic acid (4-heptylcyclohexyl) ester Formula: C37H56N2O2 MolecularWeight: 560.85274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)CCC2=C(C(=C(C=C2)C(=O)OC3CCC(CC3)CCCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)CCC2=C(C(=C(C=C2)C(=O)OC3CCC(CC3)CCCCCCC)C#N)C#N

InChI

InChI=1S/C37H56N2O2/c1-3-5-7-9-11-13-29-15-17-31(18-16-29)19-22-32-23-26-34(36(28-39)35(32)27-38)37(40)41-33-24-20-30(21-25-33)14-12-10-8-6-4-2/h23,26,29-31,33H,3-22,24-25H2,1-2H3