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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CN1C2=CC=CC=C2N=C1C(C(=O)NCC3=CC=C(C=C3)C(=N)N)OC

Isomeric SMILES

CC(=O)O.CN1C2=CC=CC=C2N=C1C(C(=O)NCC3=CC=C(C=C3)C(=N)N)OC

InChI

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