[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl] (2S)-2-hydroxy-2-phenyl-acetate CAS Name: (2S)-2-hydroxy-2-phenylacetic acid [2-(3-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate Traditional Name: (2S)-2-hydroxy-2-phenyl-acetic acid [2-(3-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C17H16BrNO4 MolecularWeight: 378.21724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C(C2=CC=CC=C2)O)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)[C@H](C2=CC=CC=C2)O)Br

InChI

InChI=1S/C17H16BrNO4/c1-11-7-8-13(9-14(11)18)19-15(20)10-23-17(22)16(21)12-5-3-2-4-6-12/h2-9,16,21H,10H2,1H3,(H,19,20)/t16-/m0/s1