octan-3-yl 2-[3,3-bis(fluoranyl)cyclopentyl]-2-(4-bromophenyl)-2-oxidanyl-ethanoate

Systemtic Name: octan-3-yl 2-[3,3-bis(fluoranyl)cyclopentyl]-2-(4-bromophenyl)-2-oxidanyl-ethanoate Openeye Name: 1-ethylhexyl 2-(4-bromophenyl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-acetate CAS Name: 2-(4-bromophenyl)-2-(3,3-difluorocyclopentyl)-2-hydroxyacetic acid octan-3-yl ester IUPAC Name: octan-3-yl 2-(4-bromophenyl)-2-(3,3-difluorocyclopentyl)-2-hydroxyacetate Traditional Name: 2-(4-bromophenyl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-acetic acid 1-ethylhexyl ester Formula: C21H29BrF2O3 MolecularWeight: 447.353966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)OC(=O)C(C1CCC(C1)(F)F)(C2=CC=C(C=C2)Br)O

Isomeric SMILES

CCCCCC(CC)OC(=O)C(C1CCC(C1)(F)F)(C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C21H29BrF2O3/c1-3-5-6-7-18(4-2)27-19(25)21(26,15-8-10-17(22)11-9-15)16-12-13-20(23,24)14-16/h8-11,16,18,26H,3-7,12-14H2,1-2H3