[(1R,2S)-1-bromanyl-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-1-phenyl-propan-2-yl] ethanoate

Systemtic Name: [(1R,2S)-1-bromanyl-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-1-phenyl-propan-2-yl] ethanoate Openeye Name: [(1S)-1-[(R)-bromo(phenyl)methyl]-2-(4-methoxyanilino)-2-oxo-ethyl] acetate CAS Name: acetic acid [(1R,2S)-1-bromo-3-(4-methoxyanilino)-3-oxo-1-phenylpropan-2-yl] ester IUPAC Name: [(1R,2S)-1-bromo-3-(4-methoxyanilino)-3-oxo-1-phenylpropan-2-yl] acetate Traditional Name: acetic acid [(1S)-1-[(R)-bromo(phenyl)methyl]-2-keto-2-(p-anisidino)ethyl] ester Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(C1=CC=CC=C1)Br)C(=O)NC2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)O[C@H]([C@@H](C1=CC=CC=C1)Br)C(=O)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H18BrNO4/c1-12(21)24-17(16(19)13-6-4-3-5-7-13)18(22)20-14-8-10-15(23-2)11-9-14/h3-11,16-17H,1-2H3,(H,20,22)/t16-,17-/m1/s1