(E)-3-[4-(4-fluorophenyl)-2,2-dimethyl-6-propan-2-yl-1,3-benzodioxol-5-yl]prop-2-enenitrile

Systemtic Name: (E)-3-[4-(4-fluorophenyl)-2,2-dimethyl-6-propan-2-yl-1,3-benzodioxol-5-yl]prop-2-enenitrile Openeye Name: (E)-3-[4-(4-fluorophenyl)-6-isopropyl-2,2-dimethyl-1,3-benzodioxol-5-yl]prop-2-enenitrile CAS Name: (E)-3-[4-(4-fluorophenyl)-2,2-dimethyl-6-propan-2-yl-1,3-benzodioxol-5-yl]-2-propenenitrile IUPAC Name: (E)-3-[4-(4-fluorophenyl)-2,2-dimethyl-6-propan-2-yl-1,3-benzodioxol-5-yl]prop-2-enenitrile Traditional Name: (E)-3-[4-(4-fluorophenyl)-6-isopropyl-2,2-dimethyl-1,3-benzodioxol-5-yl]acrylonitrile Formula: C21H20FNO2 MolecularWeight: 337.387403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C(=C1C=CC#N)C3=CC=C(C=C3)F)OC(O2)(C)C

Isomeric SMILES

CC(C)C1=CC2=C(C(=C1/C=C/C#N)C3=CC=C(C=C3)F)OC(O2)(C)C

InChI

InChI=1S/C21H20FNO2/c1-13(2)17-12-18-20(25-21(3,4)24-18)19(16(17)6-5-11-23)14-7-9-15(22)10-8-14/h5-10,12-13H,1-4H3/b6-5+