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

Systemtic Name: [4-(4-heptylphenyl)phenyl] 3-chloranyl-1-cyano-cyclohexane-1-carboxylate Openeye Name: [4-(4-heptylphenyl)phenyl] 3-chloro-1-cyano-cyclohexanecarboxylate CAS Name: 3-chloro-1-cyano-1-cyclohexanecarboxylic acid [4-(4-heptylphenyl)phenyl] ester IUPAC Name: [4-(4-heptylphenyl)phenyl] 3-chloro-1-cyanocyclohexane-1-carboxylate Traditional Name: 3-chloro-1-cyano-cyclohexanecarboxylic acid [4-(4-heptylphenyl)phenyl] ester Formula: C27H32ClNO2 MolecularWeight: 438.00148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)Cl)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)Cl)C#N

InChI

InChI=1S/C27H32ClNO2/c1-2-3-4-5-6-8-21-10-12-22(13-11-21)23-14-16-25(17-15-23)31-26(30)27(20-29)18-7-9-24(28)19-27/h10-17,24H,2-9,18-19H2,1H3