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

Systemtic Name: (4-pentoxyphenyl) 2,3-dicyano-4-propyl-cyclohexane-1-carboxylate Openeye Name: (4-pentoxyphenyl) 2,3-dicyano-4-propyl-cyclohexanecarboxylate CAS Name: 2,3-dicyano-4-propyl-1-cyclohexanecarboxylic acid (4-pentoxyphenyl) ester IUPAC Name: (4-pentoxyphenyl) 2,3-dicyano-4-propylcyclohexane-1-carboxylate Traditional Name: 2,3-dicyano-4-propyl-cyclohexanecarboxylic acid (4-amoxyphenyl) ester Formula: C23H30N2O3 MolecularWeight: 382.4959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)OC(=O)C2CCC(C(C2C#N)C#N)CCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)OC(=O)C2CCC(C(C2C#N)C#N)CCC

InChI

InChI=1S/C23H30N2O3/c1-3-5-6-14-27-18-9-11-19(12-10-18)28-23(26)20-13-8-17(7-4-2)21(15-24)22(20)16-25/h9-12,17,20-22H,3-8,13-14H2,1-2H3