(4-chloranyl-2-cyano-phenyl) 4-heptylcyclohexane-1-carboxylate

Systemtic Name: (4-chloranyl-2-cyano-phenyl) 4-heptylcyclohexane-1-carboxylate Openeye Name: (4-chloro-2-cyano-phenyl) 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid (4-chloro-2-cyanophenyl) ester IUPAC Name: (4-chloro-2-cyanophenyl) 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid (4-chloro-2-cyano-phenyl) ester Formula: C21H28ClNO2 MolecularWeight: 361.90552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C(=O)OC2=C(C=C(C=C2)Cl)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C(=O)OC2=C(C=C(C=C2)Cl)C#N

InChI

InChI=1S/C21H28ClNO2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)21(24)25-20-13-12-19(22)14-18(20)15-23/h12-14,16-17H,2-11H2,1H3