(1S)-1-(3,3-dideuterio-3-oxidanyl-propyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile

Systemtic Name: (1S)-1-(3,3-dideuterio-3-oxidanyl-propyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile Openeye Name: (1S)-1-(3,3-dideuterio-3-hydroxy-propyl)-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile CAS Name: (1S)-1-(3,3-dideuterio-3-hydroxypropyl)-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile IUPAC Name: (1S)-1-(3,3-dideuterio-3-hydroxypropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile Traditional Name: (1S)-1-(3,3-dideuterio-3-hydroxy-propyl)-1-(4-fluorophenyl)phthalan-5-carbonitrile Formula: C18H16FNO2 MolecularWeight: 299.335867

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCO)C3=CC=C(C=C3)F

Isomeric SMILES

[2H]C([2H])(CC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C18H16FNO2/c19-16-5-3-15(4-6-16)18(8-1-9-21)17-7-2-13(11-20)10-14(17)12-22-18/h2-7,10,21H,1,8-9,12H2/t18-/m0/s1/i9D2