(2,3-dicyano-4-heptoxy-phenyl) 4-hexylcyclohexane-1-carboxylate

Systemtic Name: (2,3-dicyano-4-heptoxy-phenyl) 4-hexylcyclohexane-1-carboxylate Openeye Name: (2,3-dicyano-4-heptoxy-phenyl) 4-hexylcyclohexanecarboxylate CAS Name: 4-hexyl-1-cyclohexanecarboxylic acid (2,3-dicyano-4-heptoxyphenyl) ester IUPAC Name: (2,3-dicyano-4-heptoxyphenyl) 4-hexylcyclohexane-1-carboxylate Traditional Name: 4-hexylcyclohexanecarboxylic acid (2,3-dicyano-4-heptoxy-phenyl) ester Formula: C28H40N2O3 MolecularWeight: 452.6288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)CCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCOC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)CCCCCC)C#N)C#N

InChI

InChI=1S/C28H40N2O3/c1-3-5-7-9-11-19-32-26-17-18-27(25(21-30)24(26)20-29)33-28(31)23-15-13-22(14-16-23)12-10-8-6-4-2/h17-18,22-23H,3-16,19H2,1-2H3