[(S)-deuterio-(4-methoxyphenyl)methyl] (2R)-2-cyano-2-fluoranyl-2-(4-methylphenyl)ethanoate

Systemtic Name: [(S)-deuterio-(4-methoxyphenyl)methyl] (2R)-2-cyano-2-fluoranyl-2-(4-methylphenyl)ethanoate Openeye Name: [(S)-deuterio-(4-methoxyphenyl)methyl] (2R)-2-cyano-2-fluoro-2-(p-tolyl)acetate CAS Name: (2R)-2-cyano-2-fluoro-2-(4-methylphenyl)acetic acid [(S)-deuterio-(4-methoxyphenyl)methyl] ester IUPAC Name: [(S)-deuterio-(4-methoxyphenyl)methyl] (2R)-2-cyano-2-fluoro-2-(4-methylphenyl)acetate Traditional Name: (2R)-2-cyano-2-fluoro-2-(p-tolyl)acetic acid [(S)-deuterio-(4-methoxyphenyl)methyl] ester Formula: C18H16FNO3 MolecularWeight: 314.329105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C#N)(C(=O)OCC2=CC=C(C=C2)OC)F

Isomeric SMILES

[H][C@]([2H])(C1=CC=C(C=C1)OC)OC(=O)[C@](C#N)(C2=CC=C(C=C2)C)F

InChI

InChI=1S/C18H16FNO3/c1-13-3-7-15(8-4-13)18(19,12-20)17(21)23-11-14-5-9-16(22-2)10-6-14/h3-10H,11H2,1-2H3/t18-/m0/s1/i11D/t11-,18-