(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-[(4-bromophenyl)carbonylamino]ethanoate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-[(4-bromophenyl)carbonylamino]ethanoate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 2-[(4-bromobenzoyl)amino]acetate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]acetic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate Traditional Name: 2-[(4-bromobenzoyl)amino]acetic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)CNC(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)CNC(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C21H22BrNO4/c1-12-9-13(2)20(15(4)24)14(3)18(12)11-27-19(25)10-23-21(26)16-5-7-17(22)8-6-16/h5-9H,10-11H2,1-4H3,(H,23,26)