tert-butyl 3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propanoate

Systemtic Name: tert-butyl 3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propanoate Openeye Name: tert-butyl 3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propanoate CAS Name: 3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propanoate Traditional Name: 3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]propionic acid tert-butyl ester Formula: C28H37F3O2 MolecularWeight: 462.58739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1=C(C=CC(=C1)C(F)(F)F)CCCCCCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=C(C=CC(=C1)C(F)(F)F)CCCCCCCCC2=CC=CC=C2

InChI

InChI=1S/C28H37F3O2/c1-27(2,3)33-26(32)20-18-24-21-25(28(29,30)31)19-17-23(24)16-12-7-5-4-6-9-13-22-14-10-8-11-15-22/h8,10-11,14-15,17,19,21H,4-7,9,12-13,16,18,20H2,1-3H3