piperidin-4-ylmethyl 2-[3,3-bis(fluoranyl)cyclopentyl]-2-(4-ethylphenyl)-2-oxidanyl-ethanoate

Systemtic Name: piperidin-4-ylmethyl 2-[3,3-bis(fluoranyl)cyclopentyl]-2-(4-ethylphenyl)-2-oxidanyl-ethanoate Openeye Name: 4-piperidylmethyl 2-(3,3-difluorocyclopentyl)-2-(4-ethylphenyl)-2-hydroxy-acetate CAS Name: 2-(3,3-difluorocyclopentyl)-2-(4-ethylphenyl)-2-hydroxyacetic acid 4-piperidinylmethyl ester IUPAC Name: piperidin-4-ylmethyl 2-(3,3-difluorocyclopentyl)-2-(4-ethylphenyl)-2-hydroxyacetate Traditional Name: 2-(3,3-difluorocyclopentyl)-2-(4-ethylphenyl)-2-hydroxy-acetic acid 4-piperidylmethyl ester Formula: C21H29F2NO3 MolecularWeight: 381.456666

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2CCC(C2)(F)F)(C(=O)OCC3CCNCC3)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2CCC(C2)(F)F)(C(=O)OCC3CCNCC3)O

InChI

InChI=1S/C21H29F2NO3/c1-2-15-3-5-17(6-4-15)21(26,18-7-10-20(22,23)13-18)19(25)27-14-16-8-11-24-12-9-16/h3-6,16,18,24,26H,2,7-14H2,1H3