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

Systemtic Name: [3-ethoxy-4-[2-[(E)-N'-oxidanylcarbamimidoyl]phenyl]phenyl]methyl 2-methyl-1H-benzimidazole-4-carboxylate Openeye Name: [3-ethoxy-4-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl 2-methyl-1H-benzimidazole-4-carboxylate CAS Name: 2-methyl-1H-benzimidazole-4-carboxylic acid [4-[2-[(E)-amino(hydroxyimino)methyl]phenyl]-3-ethoxyphenyl]methyl ester IUPAC Name: [3-ethoxy-4-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl 2-methyl-1H-benzimidazole-4-carboxylate Traditional Name: 2-methyl-1H-benzimidazole-4-carboxylic acid [4-[2-[(E)-aminocarbohydroximoyl]phenyl]-3-ethoxy-benzyl] ester Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)COC(=O)C2=C3C(=CC=C2)NC(=N3)C)C4=CC=CC=C4C(=NO)N

Isomeric SMILES

CCOC1=C(C=CC(=C1)COC(=O)C2=C3C(=CC=C2)NC(=N3)C)C4=CC=CC=C4/C(=N\O)/N

InChI

InChI=1S/C25H24N4O4/c1-3-32-22-13-16(11-12-18(22)17-7-4-5-8-19(17)24(26)29-31)14-33-25(30)20-9-6-10-21-23(20)28-15(2)27-21/h4-13,31H,3,14H2,1-2H3,(H2,26,29)(H,27,28)