ethyl 3-(cyanomethyl)-2,2-bis(fluoranyl)-4-phenylmethoxy-butanoate

Systemtic Name: ethyl 3-(cyanomethyl)-2,2-bis(fluoranyl)-4-phenylmethoxy-butanoate Openeye Name: ethyl 3-(benzyloxymethyl)-4-cyano-2,2-difluoro-butanoate CAS Name: 3-(cyanomethyl)-2,2-difluoro-4-phenylmethoxybutanoic acid ethyl ester IUPAC Name: ethyl 3-(cyanomethyl)-2,2-difluoro-4-phenylmethoxybutanoate Traditional Name: 3-(benzoxymethyl)-4-cyano-2,2-difluoro-butyric acid ethyl ester Formula: C15H17F2NO3 MolecularWeight: 297.297186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC#N)COCC1=CC=CC=C1)(F)F

Isomeric SMILES

CCOC(=O)C(C(CC#N)COCC1=CC=CC=C1)(F)F

InChI

InChI=1S/C15H17F2NO3/c1-2-21-14(19)15(16,17)13(8-9-18)11-20-10-12-6-4-3-5-7-12/h3-7,13H,2,8,10-11H2,1H3