[(2S)-1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [(2S)-1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [(1S)-2-(2-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [(1S)-2-(2-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20ClFN2O4 MolecularWeight: 406.835203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)OC(=O)CC(C2=CC=CC=C2)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)F)Cl)OC(=O)C[C@H](C2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C20H20ClFN2O4/c1-12(20(27)24-17-9-8-15(22)10-16(17)21)28-19(26)11-18(23-13(2)25)14-6-4-3-5-7-14/h3-10,12,18H,11H2,1-2H3,(H,23,25)(H,24,27)/t12-,18+/m0/s1