[4-[2-[(E)-N'-oxidanylcarbamimidoyl]phenyl]phenyl]methyl 2-propyl-1H-benzimidazole-4-carboxylate

Systemtic Name: [4-[2-[(E)-N'-oxidanylcarbamimidoyl]phenyl]phenyl]methyl 2-propyl-1H-benzimidazole-4-carboxylate Openeye Name: [4-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl 2-propyl-1H-benzimidazole-4-carboxylate CAS Name: 2-propyl-1H-benzimidazole-4-carboxylic acid [4-[2-[(E)-amino(hydroxyimino)methyl]phenyl]phenyl]methyl ester IUPAC Name: [4-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl 2-propyl-1H-benzimidazole-4-carboxylate Traditional Name: 2-propyl-1H-benzimidazole-4-carboxylic acid [4-[2-[(E)-aminocarbohydroximoyl]phenyl]benzyl] ester Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2N1)C(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4C(=NO)N

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2N1)C(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4/C(=N\O)/N

InChI

InChI=1S/C25H24N4O3/c1-2-6-22-27-21-10-5-9-20(23(21)28-22)25(30)32-15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)24(26)29-31/h3-5,7-14,31H,2,6,15H2,1H3,(H2,26,29)(H,27,28)