2-[(S)-cyano-(3,4-dimethoxyphenyl)methyl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[(S)-cyano-(3,4-dimethoxyphenyl)methyl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[(S)-cyano-(3,4-dimethoxyphenyl)methyl]-6-fluoro-benzonitrile CAS Name: 2-[(S)-cyano-(3,4-dimethoxyphenyl)methyl]-6-fluorobenzonitrile IUPAC Name: 2-[(S)-cyano-(3,4-dimethoxyphenyl)methyl]-6-fluorobenzonitrile Traditional Name: 2-[(S)-cyano-(3,4-dimethoxyphenyl)methyl]-6-fluoro-benzonitrile Formula: C17H13FN2O2 MolecularWeight: 296.295723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)C2=C(C(=CC=C2)F)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](C#N)C2=C(C(=CC=C2)F)C#N)OC

InChI

InChI=1S/C17H13FN2O2/c1-21-16-7-6-11(8-17(16)22-2)13(9-19)12-4-3-5-15(18)14(12)10-20/h3-8,13H,1-2H3/t13-/m0/s1