1-ethoxycarbonyloxyethyl 3-[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: 1-ethoxycarbonyloxyethyl 3-[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: 1-ethoxycarbonyloxyethyl 3-[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid 1-ethoxycarbonyloxyethyl ester IUPAC Name: 1-ethoxycarbonyloxyethyl 3-[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propionic acid 1-carbethoxyoxyethyl ester Formula: C33H37N5O6 MolecularWeight: 599.67678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(C)OC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)OC(C)OC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCCCC4=CC=CC=C4

InChI

InChI=1S/C33H37N5O6/c1-3-42-33(41)44-22(2)43-29(39)18-19-36-32(40)26-16-17-28-27(21-26)37-31(25-14-12-24(13-15-25)30(34)35)38(28)20-8-7-11-23-9-5-4-6-10-23/h4-6,9-10,12-17,21-22H,3,7-8,11,18-20H2,1-2H3,(H3,34,35)(H,36,40)