[(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-2-(3-methylphenoxy)propanoate

Systemtic Name: [(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-2-(3-methylphenoxy)propanoate Openeye Name: [(1S)-2-(2-bromo-4-methyl-anilino)-1-methyl-2-oxo-ethyl] (2R)-2-(3-methylphenoxy)propanoate CAS Name: (2R)-2-(3-methylphenoxy)propanoic acid [(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate Traditional Name: (2R)-2-(3-methylphenoxy)propionic 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(=CC=C1)OC(C)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)C)Br

Isomeric SMILES

CC1=CC(=CC=C1)O[C@H](C)C(=O)O[C@@H](C)C(=O)NC2=C(C=C(C=C2)C)Br

InChI

InChI=1S/C20H22BrNO4/c1-12-6-5-7-16(10-12)25-15(4)20(24)26-14(3)19(23)22-18-9-8-13(2)11-17(18)21/h5-11,14-15H,1-4H3,(H,22,23)/t14-,15+/m0/s1