(4-chloranyl-2-cyano-phenyl) 4-(4-cyclohexylcyclohexyl)-4-propyl-cyclohexane-1-carboxylate

Systemtic Name: (4-chloranyl-2-cyano-phenyl) 4-(4-cyclohexylcyclohexyl)-4-propyl-cyclohexane-1-carboxylate Openeye Name: (4-chloro-2-cyano-phenyl) 4-(4-cyclohexylcyclohexyl)-4-propyl-cyclohexanecarboxylate CAS Name: 4-(4-cyclohexylcyclohexyl)-4-propyl-1-cyclohexanecarboxylic acid (4-chloro-2-cyanophenyl) ester IUPAC Name: (4-chloro-2-cyanophenyl) 4-(4-cyclohexylcyclohexyl)-4-propylcyclohexane-1-carboxylate Traditional Name: 4-(4-cyclohexylcyclohexyl)-4-propyl-cyclohexanecarboxylic acid (4-chloro-2-cyano-phenyl) ester Formula: C29H40ClNO2 MolecularWeight: 470.0864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCC(CC1)C(=O)OC2=C(C=C(C=C2)Cl)C#N)C3CCC(CC3)C4CCCCC4

Isomeric SMILES

CCCC1(CCC(CC1)C(=O)OC2=C(C=C(C=C2)Cl)C#N)C3CCC(CC3)C4CCCCC4

InChI

InChI=1S/C29H40ClNO2/c1-2-16-29(25-10-8-22(9-11-25)21-6-4-3-5-7-21)17-14-23(15-18-29)28(32)33-27-13-12-26(30)19-24(27)20-31/h12-13,19,21-23,25H,2-11,14-18H2,1H3