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

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C21H22FNO6 MolecularWeight: 403.400883

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)CCC2=CC(=CC(=C2)OC)OC)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)CCC2=CC(=CC(=C2)OC)OC)F

InChI

InChI=1S/C21H22FNO6/c1-13(24)23-15-5-6-18(19(22)10-15)20(25)12-29-21(26)7-4-14-8-16(27-2)11-17(9-14)28-3/h5-6,8-11H,4,7,12H2,1-3H3,(H,23,24)