[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,5-dimethoxyphenyl)-2-propenoic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,5-dimethoxyphenyl)acrylic acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C21H20FNO6 MolecularWeight: 401.385003

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)C=CC2=C(C=CC(=C2)OC)OC)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)/C=C/C2=C(C=CC(=C2)OC)OC)F

InChI

InChI=1S/C21H20FNO6/c1-13(24)23-15-5-7-17(18(22)11-15)19(25)12-29-21(26)9-4-14-10-16(27-2)6-8-20(14)28-3/h4-11H,12H2,1-3H3,(H,23,24)/b9-4+