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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(1-methylbenzimidazol-2-yl)ethanamide; ethanoic acid Openeye Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(1-methylbenzimidazol-2-yl)acetamide CAS Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(1-methyl-2-benzimidazolyl)acetamide IUPAC Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(1-methylbenzimidazol-2-yl)acetamide Traditional Name: acetic acid; N-(4-amidinobenzyl)-2-ethoxy-2-(1-methylbenzimidazol-2-yl)acetamide Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=NC2=CC=CC=C2N1C)C(=O)NCC3=CC=C(C=C3)C(=N)N.CC(=O)O

Isomeric SMILES

CCOC(C1=NC2=CC=CC=C2N1C)C(=O)NCC3=CC=C(C=C3)C(=N)N.CC(=O)O

InChI

InChI=1S/C20H23N5O2.C2H4O2/c1-3-27-17(19-24-15-6-4-5-7-16(15)25(19)2)20(26)23-12-13-8-10-14(11-9-13)18(21)22;1-2(3)4/h4-11,17H,3,12H2,1-2H3,(H3,21,22)(H,23,26);1H3,(H,3,4)