phenethyl 5-phenyl-2-(trifluoromethyl)pent-4-ynoate

Systemtic Name: phenethyl 5-phenyl-2-(trifluoromethyl)pent-4-ynoate Openeye Name: phenethyl 5-phenyl-2-(trifluoromethyl)pent-4-ynoate CAS Name: 5-phenyl-2-(trifluoromethyl)-4-pentynoic acid phenethyl ester IUPAC Name: phenethyl 5-phenyl-2-(trifluoromethyl)pent-4-ynoate Traditional Name: 5-phenyl-2-(trifluoromethyl)pent-4-ynoic acid phenethyl ester Formula: C20H17F3O2 MolecularWeight: 346.34299

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)C(CC#CC2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)C(CC#CC2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C20H17F3O2/c21-20(22,23)18(13-7-12-16-8-3-1-4-9-16)19(24)25-15-14-17-10-5-2-6-11-17/h1-6,8-11,18H,13-15H2