(4-pentylphenyl) 2,3-dicyano-4-propyl-cyclohexane-1-carboxylate

Systemtic Name: (4-pentylphenyl) 2,3-dicyano-4-propyl-cyclohexane-1-carboxylate Openeye Name: (4-pentylphenyl) 2,3-dicyano-4-propyl-cyclohexanecarboxylate CAS Name: 2,3-dicyano-4-propyl-1-cyclohexanecarboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 2,3-dicyano-4-propylcyclohexane-1-carboxylate Traditional Name: 2,3-dicyano-4-propyl-cyclohexanecarboxylic acid (4-amylphenyl) ester Formula: C23H30N2O2 MolecularWeight: 366.4965

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2CCC(C(C2C#N)C#N)CCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2CCC(C(C2C#N)C#N)CCC

InChI

InChI=1S/C23H30N2O2/c1-3-5-6-8-17-9-12-19(13-10-17)27-23(26)20-14-11-18(7-4-2)21(15-24)22(20)16-25/h9-10,12-13,18,20-22H,3-8,11,14H2,1-2H3