(4-chloranyl-2-cyano-phenyl) 4-[4-(4-pentylcyclohexyl)phenyl]cyclohexane-1-carboxylate

Systemtic Name: (4-chloranyl-2-cyano-phenyl) 4-[4-(4-pentylcyclohexyl)phenyl]cyclohexane-1-carboxylate Openeye Name: (4-chloro-2-cyano-phenyl) 4-[4-(4-pentylcyclohexyl)phenyl]cyclohexanecarboxylate CAS Name: 4-[4-(4-pentylcyclohexyl)phenyl]-1-cyclohexanecarboxylic acid (4-chloro-2-cyanophenyl) ester IUPAC Name: (4-chloro-2-cyanophenyl) 4-[4-(4-pentylcyclohexyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 4-[4-(4-amylcyclohexyl)phenyl]cyclohexanecarboxylic acid (4-chloro-2-cyano-phenyl) ester Formula: C31H38ClNO2 MolecularWeight: 492.09192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3CCC(CC3)C(=O)OC4=C(C=C(C=C4)Cl)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3CCC(CC3)C(=O)OC4=C(C=C(C=C4)Cl)C#N

InChI

InChI=1S/C31H38ClNO2/c1-2-3-4-5-22-6-8-23(9-7-22)24-10-12-25(13-11-24)26-14-16-27(17-15-26)31(34)35-30-19-18-29(32)20-28(30)21-33/h10-13,18-20,22-23,26-27H,2-9,14-17H2,1H3