3-[[2-(4-carbamimidoylphenyl)-1-(4-chlorophenyl)benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-(4-chlorophenyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-(4-chlorophenyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(4-chlorophenyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-(4-chlorophenyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-(4-chlorophenyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C24H20ClN5O3 MolecularWeight: 461.9003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2C4=CC=C(C=C4)Cl)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2C4=CC=C(C=C4)Cl)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

InChI

InChI=1S/C24H20ClN5O3/c25-17-6-8-18(9-7-17)30-20-10-5-16(24(33)28-12-11-21(31)32)13-19(20)29-23(30)15-3-1-14(2-4-15)22(26)27/h1-10,13H,11-12H2,(H3,26,27)(H,28,33)(H,31,32)