phenyl 3-(1,4-dicyanobutoxy)-2-(1-pentylcyclohexyl)benzoate

Systemtic Name: phenyl 3-(1,4-dicyanobutoxy)-2-(1-pentylcyclohexyl)benzoate Openeye Name: phenyl 3-(1,4-dicyanobutoxy)-2-(1-pentylcyclohexyl)benzoate CAS Name: 3-(1,4-dicyanobutoxy)-2-(1-pentylcyclohexyl)benzoic acid phenyl ester IUPAC Name: phenyl 3-(1,4-dicyanobutoxy)-2-(1-pentylcyclohexyl)benzoate Traditional Name: 2-(1-amylcyclohexyl)-3-(1,4-dicyanobutoxy)benzoic acid phenyl ester Formula: C30H36N2O3 MolecularWeight: 472.61844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCCCC1)C2=C(C=CC=C2OC(CCCC#N)C#N)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCCCC1(CCCCC1)C2=C(C=CC=C2OC(CCCC#N)C#N)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C30H36N2O3/c1-2-3-9-19-30(20-10-5-11-21-30)28-26(29(33)35-24-14-6-4-7-15-24)17-13-18-27(28)34-25(23-32)16-8-12-22-31/h4,6-7,13-15,17-18,25H,2-3,5,8-12,16,19-21H2,1H3