methyl 2-butyl-7-[[3-[(E)-N'-oxidanylcarbamimidoyl]-4-phenyl-phenyl]methyl]-3H-benzimidazole-4-carboxylate

Systemtic Name: methyl 2-butyl-7-[[3-[(E)-N'-oxidanylcarbamimidoyl]-4-phenyl-phenyl]methyl]-3H-benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-7-[[3-[(E)-N'-hydroxycarbamimidoyl]-4-phenyl-phenyl]methyl]-3H-benzimidazole-4-carboxylate CAS Name: 7-[[3-[(E)-amino(hydroxyimino)methyl]-4-phenylphenyl]methyl]-2-butyl-3H-benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-butyl-7-[[3-[(E)-N'-hydroxycarbamimidoyl]-4-phenylphenyl]methyl]-3H-benzimidazole-4-carboxylate Traditional Name: 7-[3-[(E)-aminocarbohydroximoyl]-4-phenyl-benzyl]-2-butyl-3H-benzimidazole-4-carboxylic acid methyl ester Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=CC(=C2N1)C(=O)OC)CC3=CC(=C(C=C3)C4=CC=CC=C4)C(=NO)N

Isomeric SMILES

CCCCC1=NC2=C(C=CC(=C2N1)C(=O)OC)CC3=CC(=C(C=C3)C4=CC=CC=C4)/C(=N\O)/N

InChI

InChI=1S/C27H28N4O3/c1-3-4-10-23-29-24-19(12-14-21(25(24)30-23)27(32)34-2)15-17-11-13-20(18-8-6-5-7-9-18)22(16-17)26(28)31-33/h5-9,11-14,16,33H,3-4,10,15H2,1-2H3,(H2,28,31)(H,29,30)