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

Systemtic Name: methyl 3-[[3-[(E)-N'-oxidanylcarbamimidoyl]-4-phenyl-phenyl]methyl]-2-propyl-benzimidazole-4-carboxylate Openeye Name: methyl 3-[[3-[(E)-N'-hydroxycarbamimidoyl]-4-phenyl-phenyl]methyl]-2-propyl-benzimidazole-4-carboxylate CAS Name: 3-[[3-[(E)-amino(hydroxyimino)methyl]-4-phenylphenyl]methyl]-2-propyl-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[3-[(E)-N'-hydroxycarbamimidoyl]-4-phenylphenyl]methyl]-2-propylbenzimidazole-4-carboxylate Traditional Name: 3-[3-[(E)-aminocarbohydroximoyl]-4-phenyl-benzyl]-2-propyl-benzimidazole-4-carboxylic acid methyl ester Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC(=C2N1CC3=CC(=C(C=C3)C4=CC=CC=C4)C(=NO)N)C(=O)OC

Isomeric SMILES

CCCC1=NC2=CC=CC(=C2N1CC3=CC(=C(C=C3)C4=CC=CC=C4)/C(=N\O)/N)C(=O)OC

InChI

InChI=1S/C26H26N4O3/c1-3-8-23-28-22-12-7-11-20(26(31)33-2)24(22)30(23)16-17-13-14-19(18-9-5-4-6-10-18)21(15-17)25(27)29-32/h4-7,9-15,32H,3,8,16H2,1-2H3,(H2,27,29)