[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C19H18BrFN2O4 MolecularWeight: 437.259623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N[C@H](CC(=O)OCC(=O)NC1=C(C=C(C=C1)Br)F)C2=CC=CC=C2

InChI

InChI=1S/C19H18BrFN2O4/c1-12(24)22-17(13-5-3-2-4-6-13)10-19(26)27-11-18(25)23-16-8-7-14(20)9-15(16)21/h2-9,17H,10-11H2,1H3,(H,22,24)(H,23,25)/t17-/m1/s1