methyl 3-[[2-(4-cyanophenyl)-1-methyl-6-(methylamino)benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(4-cyanophenyl)-1-methyl-6-(methylamino)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-cyanophenyl)-1-methyl-6-(methylamino)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-cyanophenyl)-1-methyl-6-(methylamino)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-cyanophenyl)-1-methyl-6-(methylamino)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-cyanophenyl)-1-methyl-6-(methylamino)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC2=C(C=C1C(=O)NCCC(=O)OC)N=C(N2C)C3=CC=C(C=C3)C#N

Isomeric SMILES

CNC1=CC2=C(C=C1C(=O)NCCC(=O)OC)N=C(N2C)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21N5O3/c1-23-16-11-18-17(10-15(16)21(28)24-9-8-19(27)29-3)25-20(26(18)2)14-6-4-13(12-22)5-7-14/h4-7,10-11,23H,8-9H2,1-3H3,(H,24,28)