diethyl 2-[(3-bromophenyl)methyl]-2-[(4-methylphenyl)carbonylamino]propanedioate

Systemtic Name: diethyl 2-[(3-bromophenyl)methyl]-2-[(4-methylphenyl)carbonylamino]propanedioate Openeye Name: diethyl 2-[(3-bromophenyl)methyl]-2-[(4-methylbenzoyl)amino]propanedioate CAS Name: 2-[(3-bromophenyl)methyl]-2-[[(4-methylphenyl)-oxomethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(3-bromophenyl)methyl]-2-[(4-methylbenzoyl)amino]propanedioate Traditional Name: 2-(3-bromobenzyl)-2-(p-toluoylamino)malonic acid diethyl ester Formula: C22H24BrNO5 MolecularWeight: 462.33366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrNO5/c1-4-28-20(26)22(21(27)29-5-2,14-16-7-6-8-18(23)13-16)24-19(25)17-11-9-15(3)10-12-17/h6-13H,4-5,14H2,1-3H3,(H,24,25)