[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-3-phenylacryloyl]amino]propionic acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C21H20FNO5 MolecularWeight: 385.385603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CCNC(=O)C=CC2=CC=CC=C2)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CCNC(=O)/C=C/C2=CC=CC=C2)F

InChI

InChI=1S/C21H20FNO5/c1-27-19-9-8-16(13-17(19)22)18(24)14-28-21(26)11-12-23-20(25)10-7-15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3,(H,23,25)/b10-7+