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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-methoxy-2-[1-(2-phenylmethoxyethyl)benzimidazol-2-yl]ethanamide; ethanoic acid Openeye Name: acetic acid; 2-[1-(2-benzyloxyethyl)benzimidazol-2-yl]-N-[(4-carbamimidoylphenyl)methyl]-2-methoxy-acetamide CAS Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-methoxy-2-[1-(2-phenylmethoxyethyl)-2-benzimidazolyl]acetamide IUPAC Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-methoxy-2-[1-(2-phenylmethoxyethyl)benzimidazol-2-yl]acetamide Traditional Name: acetic acid; N-(4-amidinobenzyl)-2-[1-(2-benzoxyethyl)benzimidazol-2-yl]-2-methoxy-acetamide Formula: C29H33N5O5 MolecularWeight: 531.60282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC(C1=NC2=CC=CC=C2N1CCOCC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC(=O)O.COC(C1=NC2=CC=CC=C2N1CCOCC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H29N5O3.C2H4O2/c1-34-24(27(33)30-17-19-11-13-21(14-12-19)25(28)29)26-31-22-9-5-6-10-23(22)32(26)15-16-35-18-20-7-3-2-4-8-20;1-2(3)4/h2-14,24H,15-18H2,1H3,(H3,28,29)(H,30,33);1H3,(H,3,4)