4-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-phenyl-amino]butanoic acid

Systemtic Name: 4-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-phenyl-amino]butanoic acid Openeye Name: 4-(N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonylanilino)butanoic acid CAS Name: 4-(N-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]oxy-oxomethyl]anilino)butanoic acid IUPAC Name: 4-(N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazol-5-yl]oxycarbonylanilino)butanoic acid Traditional Name: 4-(N-[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonylanilino)butyric acid Formula: C28H29N5O4 MolecularWeight: 499.56096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC(=O)N(CCCC(=O)O)C3=CC=CC=C3)N=C1CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC(=O)N(CCCC(=O)O)C3=CC=CC=C3)N=C1CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H29N5O4/c1-32-24-15-14-22(37-28(36)33(17-5-8-26(34)35)21-6-3-2-4-7-21)18-23(24)31-25(32)16-11-19-9-12-20(13-10-19)27(29)30/h2-4,6-7,9-10,12-15,18H,5,8,11,16-17H2,1H3,(H3,29,30)(H,34,35)