[4-(4-pentylphenyl)phenyl] 3-chloranyl-1-cyano-cyclohexane-1-carboxylate

Systemtic Name: [4-(4-pentylphenyl)phenyl] 3-chloranyl-1-cyano-cyclohexane-1-carboxylate Openeye Name: [4-(4-pentylphenyl)phenyl] 3-chloro-1-cyano-cyclohexanecarboxylate CAS Name: 3-chloro-1-cyano-1-cyclohexanecarboxylic acid [4-(4-pentylphenyl)phenyl] ester IUPAC Name: [4-(4-pentylphenyl)phenyl] 3-chloro-1-cyanocyclohexane-1-carboxylate Traditional Name: 3-chloro-1-cyano-cyclohexanecarboxylic acid [4-(4-amylphenyl)phenyl] ester Formula: C25H28ClNO2 MolecularWeight: 409.94832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)Cl)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)Cl)C#N

InChI

InChI=1S/C25H28ClNO2/c1-2-3-4-6-19-8-10-20(11-9-19)21-12-14-23(15-13-21)29-24(28)25(18-27)16-5-7-22(26)17-25/h8-15,22H,2-7,16-17H2,1H3