methyl 3-[[2-(4-carbamimidoylphenyl)-1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(2-piperidin-1-ylethyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-[2-(1-piperidyl)ethyl]benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-[2-(1-piperidinyl)ethyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(2-piperidin-1-ylethyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-(2-piperidinoethyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C26H32N6O3 MolecularWeight: 476.57068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCN4CCCCC4

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCN4CCCCC4

InChI

InChI=1S/C26H32N6O3/c1-35-23(33)11-12-29-26(34)20-9-10-22-21(17-20)30-25(19-7-5-18(6-8-19)24(27)28)32(22)16-15-31-13-3-2-4-14-31/h5-10,17H,2-4,11-16H2,1H3,(H3,27,28)(H,29,34)