dimethyl 5-[3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-(3-methyl-2-oxo-benzimidazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-(3-methyl-2-oxo-1-benzimidazolyl)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(2-keto-3-methyl-benzimidazol-1-yl)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H21N3O6/c1-23-16-6-4-5-7-17(16)24(21(23)28)9-8-18(25)22-15-11-13(19(26)29-2)10-14(12-15)20(27)30-3/h4-7,10-12H,8-9H2,1-3H3,(H,22,25)