ethyl (2S)-2-cyano-2-[(4R)-4-(4-fluorophenyl)-2,2-dimethyl-oxan-4-yl]ethanoate

Systemtic Name: ethyl (2S)-2-cyano-2-[(4R)-4-(4-fluorophenyl)-2,2-dimethyl-oxan-4-yl]ethanoate Openeye Name: ethyl (2S)-2-cyano-2-[(4R)-4-(4-fluorophenyl)-2,2-dimethyl-tetrahydropyran-4-yl]acetate CAS Name: (2S)-2-cyano-2-[(4R)-4-(4-fluorophenyl)-2,2-dimethyl-4-oxanyl]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-2-[(4R)-4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]acetate Traditional Name: (2S)-2-cyano-2-[(4R)-4-(4-fluorophenyl)-2,2-dimethyl-tetrahydropyran-4-yl]acetic acid ethyl ester Formula: C18H22FNO3 MolecularWeight: 319.370583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H](C#N)[C@]1(CCOC(C1)(C)C)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H22FNO3/c1-4-22-16(21)15(11-20)18(9-10-23-17(2,3)12-18)13-5-7-14(19)8-6-13/h5-8,15H,4,9-10,12H2,1-3H3/t15-,18-/m0/s1