[(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2,6-dimethylphenoxy)ethanoate

Systemtic Name: [(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2,6-dimethylphenoxy)ethanoate Openeye Name: [(1S)-2-(2-bromo-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-(2,6-dimethylphenoxy)acetate CAS Name: 2-(2,6-dimethylphenoxy)acetic acid [(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate Traditional Name: 2-(2,6-dimethylphenoxy)acetic acid [(1S)-2-(2-bromo-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)COC2=C(C=CC=C2C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)OC(=O)COC2=C(C=CC=C2C)C)Br

InChI

InChI=1S/C20H22BrNO4/c1-12-8-9-17(16(21)10-12)22-20(24)15(4)26-18(23)11-25-19-13(2)6-5-7-14(19)3/h5-10,15H,11H2,1-4H3,(H,22,24)/t15-/m0/s1