3-fluoranyl-5-[(E)-3-oxidanyl-5-oxidanylidene-7-phenylmethoxy-hept-3-en-4-yl]oxy-benzenecarbonitrile

Systemtic Name: 3-fluoranyl-5-[(E)-3-oxidanyl-5-oxidanylidene-7-phenylmethoxy-hept-3-en-4-yl]oxy-benzenecarbonitrile Openeye Name: 3-[(E)-1-(3-benzyloxypropanoyl)-2-hydroxy-but-1-enoxy]-5-fluoro-benzonitrile CAS Name: 3-fluoro-5-[(E)-3-hydroxy-5-oxo-7-phenylmethoxyhept-3-en-4-yl]oxybenzonitrile IUPAC Name: 3-fluoro-5-[(E)-3-hydroxy-5-oxo-7-phenylmethoxyhept-3-en-4-yl]oxybenzonitrile Traditional Name: 3-[(E)-1-(3-benzoxypropanoyl)-2-hydroxy-but-1-enoxy]-5-fluoro-benzonitrile Formula: C21H20FNO4 MolecularWeight: 369.386203

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C(=O)CCOCC1=CC=CC=C1)OC2=CC(=CC(=C2)C#N)F)O

Isomeric SMILES

CC/C(=C(/C(=O)CCOCC1=CC=CC=C1)\OC2=CC(=CC(=C2)C#N)F)/O

InChI

InChI=1S/C21H20FNO4/c1-2-19(24)21(27-18-11-16(13-23)10-17(22)12-18)20(25)8-9-26-14-15-6-4-3-5-7-15/h3-7,10-12,24H,2,8-9,14H2,1H3/b21-19+