[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C18H18FN3O4 MolecularWeight: 359.351623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC=C(C=C1)F)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)F)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H18FN3O4/c1-12(20-18(25)22-14-5-3-2-4-6-14)17(24)26-11-16(23)21-15-9-7-13(19)8-10-15/h2-10,12H,11H2,1H3,(H,21,23)(H2,20,22,25)/t12-/m0/s1