(2-cyanophenyl) 4-heptyl-4-pentyl-1-phenyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: (2-cyanophenyl) 4-heptyl-4-pentyl-1-phenyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: (2-cyanophenyl) 4-heptyl-4-pentyl-1-phenyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-heptyl-4-pentyl-1-phenyl-1-cyclohexa-2,5-dienecarboxylic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 4-heptyl-4-pentyl-1-phenylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-amyl-4-heptyl-1-phenyl-cyclohexa-2,5-diene-1-carboxylic acid (2-cyanophenyl) ester Formula: C32H39NO2 MolecularWeight: 469.65756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C=CC(C=C1)(C2=CC=CC=C2)C(=O)OC3=CC=CC=C3C#N)CCCCC

Isomeric SMILES

CCCCCCCC1(C=CC(C=C1)(C2=CC=CC=C2)C(=O)OC3=CC=CC=C3C#N)CCCCC

InChI

InChI=1S/C32H39NO2/c1-3-5-7-8-15-21-31(20-14-6-4-2)22-24-32(25-23-31,28-17-10-9-11-18-28)30(34)35-29-19-13-12-16-27(29)26-33/h9-13,16-19,22-25H,3-8,14-15,20-21H2,1-2H3