[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-methyl-3-(2-methylpropanoylamino)benzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-methyl-3-(2-methylpropanoylamino)benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-methyl-3-(2-methylpropanoylamino)benzoate CAS Name: 4-methyl-3-[(2-methyl-1-oxopropyl)amino]benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-methyl-3-(2-methylpropanoylamino)benzoate Traditional Name: 3-(isobutyrylamino)-4-methyl-benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br)NC(=O)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br)NC(=O)C(C)C

InChI

InChI=1S/C20H20BrNO4/c1-12(2)19(24)22-17-10-15(5-4-13(17)3)20(25)26-11-18(23)14-6-8-16(21)9-7-14/h4-10,12H,11H2,1-3H3,(H,22,24)