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

Systemtic Name: ethyl 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-cyclopentyl-amino]propanoate Openeye Name: ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-cyclopentyl-amino]propanoate CAS Name: 3-[[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-cyclopentylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-cyclopentylamino]propanoate Traditional Name: 3-[[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-cyclopentyl-amino]propionic acid ethyl ester Formula: C27H34N6O3 MolecularWeight: 490.59726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1CCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCN(C1CCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C27H34N6O3/c1-3-36-25(34)14-15-33(21-6-4-5-7-21)27(35)19-10-13-23-22(16-19)31-24(32(23)2)17-30-20-11-8-18(9-12-20)26(28)29/h8-13,16,21,30H,3-7,14-15,17H2,1-2H3,(H3,28,29)