2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-5-(3-chloranyl-5-fluoranyl-phenyl)-4-oxidanyl-phenyl]butanedioic acid

Systemtic Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-5-(3-chloranyl-5-fluoranyl-phenyl)-4-oxidanyl-phenyl]butanedioic acid Openeye Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-5-(3-chloro-5-fluoro-phenyl)-4-hydroxy-phenyl]butanedioic acid CAS Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-5-(3-chloro-5-fluorophenyl)-4-hydroxyphenyl]butanedioic acid IUPAC Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-5-(3-chloro-5-fluorophenyl)-4-hydroxyphenyl]butanedioic acid Traditional Name: 2-[3-(5-amidino-2H-benzimidazol-2-yl)-5-(3-chloro-5-fluoro-phenyl)-4-hydroxy-phenyl]succinic acid Formula: C24H18ClFN4O5 MolecularWeight: 496.874923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(N=C2C=C1C(=N)N)C3=C(C(=CC(=C3)C(CC(=O)O)C(=O)O)C4=CC(=CC(=C4)Cl)F)O

Isomeric SMILES

C1=CC2=NC(N=C2C=C1C(=N)N)C3=C(C(=CC(=C3)C(CC(=O)O)C(=O)O)C4=CC(=CC(=C4)Cl)F)O

InChI

InChI=1S/C24H18ClFN4O5/c25-13-3-11(4-14(26)8-13)15-5-12(16(24(34)35)9-20(31)32)6-17(21(15)33)23-29-18-2-1-10(22(27)28)7-19(18)30-23/h1-8,16,23,33H,9H2,(H3,27,28)(H,31,32)(H,34,35)