tert-butyl 2-[[3-(1H-benzimidazol-2-ylmethylcarbamoylamino)phenyl]carbonylamino]ethanoate

Systemtic Name: tert-butyl 2-[[3-(1H-benzimidazol-2-ylmethylcarbamoylamino)phenyl]carbonylamino]ethanoate Openeye Name: tert-butyl 2-[[3-(1H-benzimidazol-2-ylmethylcarbamoylamino)benzoyl]amino]acetate CAS Name: 2-[[[3-[[(1H-benzimidazol-2-ylmethylamino)-oxomethyl]amino]phenyl]-oxomethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[3-(1H-benzimidazol-2-ylmethylcarbamoylamino)benzoyl]amino]acetate Traditional Name: 2-[[3-(1H-benzimidazol-2-ylmethylcarbamoylamino)benzoyl]amino]acetic acid tert-butyl ester Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC(=O)C1=CC(=CC=C1)NC(=O)NCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)OC(=O)CNC(=O)C1=CC(=CC=C1)NC(=O)NCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C22H25N5O4/c1-22(2,3)31-19(28)13-23-20(29)14-7-6-8-15(11-14)25-21(30)24-12-18-26-16-9-4-5-10-17(16)27-18/h4-11H,12-13H2,1-3H3,(H,23,29)(H,26,27)(H2,24,25,30)