[4-[(E)-2-cyano-3-[(2R)-1-methoxypropan-2-yl]oxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-fluoranylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-[(2R)-1-methoxypropan-2-yl]oxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-fluoranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-[(1R)-2-methoxy-1-methyl-ethoxy]-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[(E)-2-cyano-3-[(2R)-1-methoxypropan-2-yl]oxy-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-[(2R)-1-methoxypropan-2-yl]oxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[(E)-2-cyano-3-keto-3-[(1R)-2-methoxy-1-methyl-ethoxy]prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H20FNO6 MolecularWeight: 413.395703

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)OC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)F)OC)C#N

Isomeric SMILES

C[C@H](COC)OC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)F)OC)/C#N

InChI

InChI=1S/C22H20FNO6/c1-14(13-27-2)29-22(26)17(12-24)10-15-4-9-19(20(11-15)28-3)30-21(25)16-5-7-18(23)8-6-16/h4-11,14H,13H2,1-3H3/b17-10+/t14-/m1/s1