diethyl 5-[3-[(4-bromophenyl)carbonylamino]propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[3-[(4-bromophenyl)carbonylamino]propanoylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[3-[(4-bromobenzoyl)amino]propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-[(4-bromobenzoyl)amino]propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-[(4-bromobenzoyl)amino]propanoylamino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C22H23BrN2O6 MolecularWeight: 491.33182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O6/c1-3-30-21(28)15-11-16(22(29)31-4-2)13-18(12-15)25-19(26)9-10-24-20(27)14-5-7-17(23)8-6-14/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,24,27)(H,25,26)