tert-butyl 3-[3-[(4-cyano-3-fluoranyl-phenoxy)methyl]phenyl]propanoate

Systemtic Name: tert-butyl 3-[3-[(4-cyano-3-fluoranyl-phenoxy)methyl]phenyl]propanoate Openeye Name: tert-butyl 3-[3-[(4-cyano-3-fluoro-phenoxy)methyl]phenyl]propanoate CAS Name: 3-[3-[(4-cyano-3-fluorophenoxy)methyl]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[(4-cyano-3-fluorophenoxy)methyl]phenyl]propanoate Traditional Name: 3-[3-[(4-cyano-3-fluoro-phenoxy)methyl]phenyl]propionic acid tert-butyl ester Formula: C21H22FNO3 MolecularWeight: 355.402683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1=CC(=CC=C1)COC2=CC(=C(C=C2)C#N)F

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=CC(=CC=C1)COC2=CC(=C(C=C2)C#N)F

InChI

InChI=1S/C21H22FNO3/c1-21(2,3)26-20(24)10-7-15-5-4-6-16(11-15)14-25-18-9-8-17(13-23)19(22)12-18/h4-6,8-9,11-12H,7,10,14H2,1-3H3