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

Systemtic Name: 5-phenylpentan-2-yl 2,3-bis(fluoranyl)-4-[2-(4-propylcyclohexyl)ethyl]benzoate Openeye Name: (1-methyl-4-phenyl-butyl) 2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzoate CAS Name: 2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzoic acid 5-phenylpentan-2-yl ester IUPAC Name: 5-phenylpentan-2-yl 2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzoate Traditional Name: 2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzoic acid (1-methyl-4-phenyl-butyl) ester Formula: C29H38F2O2 MolecularWeight: 456.607626

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)CCC2=C(C(=C(C=C2)C(=O)OC(C)CCCC3=CC=CC=C3)F)F

Isomeric SMILES

CCCC1CCC(CC1)CCC2=C(C(=C(C=C2)C(=O)OC(C)CCCC3=CC=CC=C3)F)F

InChI

InChI=1S/C29H38F2O2/c1-3-8-22-13-15-24(16-14-22)17-18-25-19-20-26(28(31)27(25)30)29(32)33-21(2)9-7-12-23-10-5-4-6-11-23/h4-6,10-11,19-22,24H,3,7-9,12-18H2,1-2H3