(2,3-dicyano-4-pentyl-phenyl) 4-propylcyclohexane-1-carboxylate

Systemtic Name: (2,3-dicyano-4-pentyl-phenyl) 4-propylcyclohexane-1-carboxylate Openeye Name: (2,3-dicyano-4-pentyl-phenyl) 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid (2,3-dicyano-4-pentylphenyl) ester IUPAC Name: (2,3-dicyano-4-pentylphenyl) 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid (4-amyl-2,3-dicyano-phenyl) ester Formula: C23H30N2O2 MolecularWeight: 366.4965

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)CCC)C#N)C#N

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)CCC)C#N)C#N

InChI

InChI=1S/C23H30N2O2/c1-3-5-6-8-18-13-14-22(21(16-25)20(18)15-24)27-23(26)19-11-9-17(7-4-2)10-12-19/h13-14,17,19H,3-12H2,1-2H3