ethyl 3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonyl-cyclopentyl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonyl-cyclopentyl-amino]propanoate Openeye Name: ethyl 3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]-cyclopentyl-amino]propanoate CAS Name: 3-[[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-cyclopentylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazole-5-carbonyl]-cyclopentylamino]propanoate Traditional Name: 3-[[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]-cyclopentyl-amino]propionic acid ethyl ester Formula: C28H35N5O3 MolecularWeight: 489.6092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1CCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCN(C1CCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C28H35N5O3/c1-3-36-26(34)16-17-33(22-6-4-5-7-22)28(35)21-13-14-24-23(18-21)31-25(32(24)2)15-10-19-8-11-20(12-9-19)27(29)30/h8-9,11-14,18,22H,3-7,10,15-17H2,1-2H3,(H3,29,30)