[2-[(2-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-benzamido-3-methyl-butanoate

Systemtic Name: [2-[(2-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-benzamido-3-methyl-butanoate Openeye Name: [2-(2-chloro-4-fluoro-anilino)-2-oxo-ethyl] (2R)-2-benzamido-3-methyl-butanoate CAS Name: (2R)-2-benzamido-3-methylbutanoic acid [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate Traditional Name: (2R)-2-benzamido-3-methyl-butyric acid [2-(2-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C20H20ClFN2O4 MolecularWeight: 406.835203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClFN2O4/c1-12(2)18(24-19(26)13-6-4-3-5-7-13)20(27)28-11-17(25)23-16-9-8-14(22)10-15(16)21/h3-10,12,18H,11H2,1-2H3,(H,23,25)(H,24,26)/t18-/m1/s1