methyl 2-[[3-methyl-2-(phenylmethyl)-6-(propanoylamino)benzimidazol-4-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[3-methyl-2-(phenylmethyl)-6-(propanoylamino)benzimidazol-4-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[2-benzyl-3-methyl-6-(propanoylamino)benzimidazole-4-carbonyl]amino]acetate CAS Name: 2-[[[3-methyl-6-(1-oxopropylamino)-2-(phenylmethyl)-4-benzimidazolyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-benzyl-3-methyl-6-(propanoylamino)benzimidazole-4-carbonyl]amino]acetate Traditional Name: 2-[(2-benzyl-3-methyl-6-propionamido-benzimidazole-4-carbonyl)amino]acetic acid methyl ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C(=C1)C(=O)NCC(=O)OC)N(C(=N2)CC3=CC=CC=C3)C

Isomeric SMILES

CCC(=O)NC1=CC2=C(C(=C1)C(=O)NCC(=O)OC)N(C(=N2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H24N4O4/c1-4-19(27)24-15-11-16(22(29)23-13-20(28)30-3)21-17(12-15)25-18(26(21)2)10-14-8-6-5-7-9-14/h5-9,11-12H,4,10,13H2,1-3H3,(H,23,29)(H,24,27)