N-[2,5-diethoxy-4-(3-methylbutanoylamino)phenyl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[2,5-diethoxy-4-(3-methylbutanoylamino)phenyl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[2,5-diethoxy-4-(3-methylbutanoylamino)phenyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[2,5-diethoxy-4-[(3-methyl-1-oxobutyl)amino]phenyl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[2,5-diethoxy-4-(3-methylbutanoylamino)phenyl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[2,5-diethoxy-4-(isovalerylamino)phenyl]-3H-benzimidazole-5-carboxamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC3=C(C=C2)N=CN3)OCC)NC(=O)CC(C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC3=C(C=C2)N=CN3)OCC)NC(=O)CC(C)C

InChI

InChI=1S/C23H28N4O4/c1-5-30-20-12-19(21(31-6-2)11-18(20)26-22(28)9-14(3)4)27-23(29)15-7-8-16-17(10-15)25-13-24-16/h7-8,10-14H,5-6,9H2,1-4H3,(H,24,25)(H,26,28)(H,27,29)