[2-(3-fluorophenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [2-(3-fluorophenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-(3-fluorophenyl)-2-oxo-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [2-(3-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluorophenyl)-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2S)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-(3-fluorophenyl)-2-keto-ethyl] ester Formula: C20H21FN2O4 MolecularWeight: 372.390143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O4/c1-13(2)18(23-20(26)22-16-9-4-3-5-10-16)19(25)27-12-17(24)14-7-6-8-15(21)11-14/h3-11,13,18H,12H2,1-2H3,(H2,22,23,26)/t18-/m0/s1