2-(1H-benzimidazol-2-yl)-N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-ethanamide; ethanoic acid

Systemtic Name: 2-(1H-benzimidazol-2-yl)-N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-ethanamide; ethanoic acid Openeye Name: acetic acid; 2-(1H-benzimidazol-2-yl)-N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-acetamide CAS Name: acetic acid; 2-(1H-benzimidazol-2-yl)-N-[(4-carbamimidoylphenyl)methyl]-2-ethoxyacetamide IUPAC Name: acetic acid; 2-(1H-benzimidazol-2-yl)-N-[(4-carbamimidoylphenyl)methyl]-2-ethoxyacetamide Traditional Name: acetic acid; N-(4-amidinobenzyl)-2-(1H-benzimidazol-2-yl)-2-ethoxy-acetamide Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=NC2=CC=CC=C2N1)C(=O)NCC3=CC=C(C=C3)C(=N)N.CC(=O)O

Isomeric SMILES

CCOC(C1=NC2=CC=CC=C2N1)C(=O)NCC3=CC=C(C=C3)C(=N)N.CC(=O)O

InChI

InChI=1S/C19H21N5O2.C2H4O2/c1-2-26-16(18-23-14-5-3-4-6-15(14)24-18)19(25)22-11-12-7-9-13(10-8-12)17(20)21;1-2(3)4/h3-10,16H,2,11H2,1H3,(H3,20,21)(H,22,25)(H,23,24);1H3,(H,3,4)