5-phenylpentan-2-yl 2,3-bis(fluoranyl)-4-[2-(4-pentylcyclohexyl)ethyl]benzoate

Systemtic Name: 5-phenylpentan-2-yl 2,3-bis(fluoranyl)-4-[2-(4-pentylcyclohexyl)ethyl]benzoate Openeye Name: (1-methyl-4-phenyl-butyl) 2,3-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzoate CAS Name: 2,3-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzoic acid 5-phenylpentan-2-yl ester IUPAC Name: 5-phenylpentan-2-yl 2,3-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzoate Traditional Name: 4-[2-(4-amylcyclohexyl)ethyl]-2,3-difluoro-benzoic acid (1-methyl-4-phenyl-butyl) ester Formula: C31H42F2O2 MolecularWeight: 484.660786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)CCC2=C(C(=C(C=C2)C(=O)OC(C)CCCC3=CC=CC=C3)F)F

Isomeric SMILES

CCCCCC1CCC(CC1)CCC2=C(C(=C(C=C2)C(=O)OC(C)CCCC3=CC=CC=C3)F)F

InChI

InChI=1S/C31H42F2O2/c1-3-4-6-11-25-15-17-26(18-16-25)19-20-27-21-22-28(30(33)29(27)32)31(34)35-23(2)10-9-14-24-12-7-5-8-13-24/h5,7-8,12-13,21-23,25-26H,3-4,6,9-11,14-20H2,1-2H3