methyl 4-[[3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-(3-methyl-2-oxo-benzimidazol-1-yl)propanoylamino]methyl]benzoate CAS Name: 4-[[[3-(3-methyl-2-oxo-1-benzimidazolyl)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(2-keto-3-methyl-benzimidazol-1-yl)propanoylamino]methyl]benzoic acid methyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O4/c1-22-16-5-3-4-6-17(16)23(20(22)26)12-11-18(24)21-13-14-7-9-15(10-8-14)19(25)27-2/h3-10H,11-13H2,1-2H3,(H,21,24)