methyl 4-[[2-methyl-6-(2-methylpropanoylamino)-3-(phenylmethyl)benzimidazol-4-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[2-methyl-6-(2-methylpropanoylamino)-3-(phenylmethyl)benzimidazol-4-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[3-benzyl-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carbonyl]amino]butanoate CAS Name: 4-[[[2-methyl-6-[(2-methyl-1-oxopropyl)amino]-3-(phenylmethyl)-4-benzimidazolyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-benzyl-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carbonyl]amino]butanoate Traditional Name: 4-[[3-benzyl-6-(isobutyrylamino)-2-methyl-benzimidazole-4-carbonyl]amino]butyric acid methyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)C(=CC(=C2)NC(=O)C(C)C)C(=O)NCCCC(=O)OC

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C(=CC(=C2)NC(=O)C(C)C)C(=O)NCCCC(=O)OC

InChI

InChI=1S/C25H30N4O4/c1-16(2)24(31)28-19-13-20(25(32)26-12-8-11-22(30)33-4)23-21(14-19)27-17(3)29(23)15-18-9-6-5-7-10-18/h5-7,9-10,13-14,16H,8,11-12,15H2,1-4H3,(H,26,32)(H,28,31)