(3-chloranyl-4-fluoranyl-phenyl) 4-[4-(4-pentylcyclohexyl)phenyl]cyclohexane-1-carboxylate

Systemtic Name: (3-chloranyl-4-fluoranyl-phenyl) 4-[4-(4-pentylcyclohexyl)phenyl]cyclohexane-1-carboxylate Openeye Name: (3-chloro-4-fluoro-phenyl) 4-[4-(4-pentylcyclohexyl)phenyl]cyclohexanecarboxylate CAS Name: 4-[4-(4-pentylcyclohexyl)phenyl]-1-cyclohexanecarboxylic acid (3-chloro-4-fluorophenyl) ester IUPAC Name: (3-chloro-4-fluorophenyl) 4-[4-(4-pentylcyclohexyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 4-[4-(4-amylcyclohexyl)phenyl]cyclohexanecarboxylic acid (3-chloro-4-fluoro-phenyl) ester Formula: C30H38ClFO2 MolecularWeight: 485.072923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38ClFO2/c1-2-3-4-5-21-6-8-22(9-7-21)23-10-12-24(13-11-23)25-14-16-26(17-15-25)30(33)34-27-18-19-29(32)28(31)20-27/h10-13,18-22,25-26H,2-9,14-17H2,1H3