[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(3-fluoroanilino)-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid [2-(3-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-furoylamino)-3-phenyl-propionic acid [2-(3-fluoroanilino)-2-keto-ethyl] ester Formula: C22H19FN2O5 MolecularWeight: 410.395063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NC2=CC(=CC=C2)F)NC(=O)C3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC(=O)NC2=CC(=CC=C2)F)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H19FN2O5/c23-16-8-4-9-17(13-16)24-20(26)14-30-22(28)18(12-15-6-2-1-3-7-15)25-21(27)19-10-5-11-29-19/h1-11,13,18H,12,14H2,(H,24,26)(H,25,27)/t18-/m0/s1