[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-fluoranylphenoxy)propanoate

Systemtic Name: [2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-fluoranylphenoxy)propanoate Openeye Name: [2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl] (2S)-2-(4-fluorophenoxy)propanoate CAS Name: (2S)-2-(4-fluorophenoxy)propanoic acid [2-(3-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl] (2S)-2-(4-fluorophenoxy)propanoate Traditional Name: (2S)-2-(4-fluorophenoxy)propionic acid [2-(3-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C18H17BrFNO4 MolecularWeight: 410.234283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C(C)OC2=CC=C(C=C2)F)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)[C@H](C)OC2=CC=C(C=C2)F)Br

InChI

InChI=1S/C18H17BrFNO4/c1-11-3-6-14(9-16(11)19)21-17(22)10-24-18(23)12(2)25-15-7-4-13(20)5-8-15/h3-9,12H,10H2,1-2H3,(H,21,22)/t12-/m0/s1