[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-benzamido-3-methyl-butanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-benzamido-3-methyl-butanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-benzamido-3-methyl-butanoate CAS Name: 2-benzamido-3-methylbutanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-benzamido-3-methylbutanoate Traditional Name: 2-benzamido-3-methyl-butyric acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC=C(C=C1)Br)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)C1=CC=C(C=C1)Br)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H20BrNO4/c1-13(2)18(22-19(24)15-6-4-3-5-7-15)20(25)26-12-17(23)14-8-10-16(21)11-9-14/h3-11,13,18H,12H2,1-2H3,(H,22,24)