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

Systemtic Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-5-(3-methoxyphenyl)-4-oxidanyl-phenyl]butanedioic acid Openeye Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-hydroxy-5-(3-methoxyphenyl)phenyl]butanedioic acid CAS Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-hydroxy-5-(3-methoxyphenyl)phenyl]butanedioic acid IUPAC Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-hydroxy-5-(3-methoxyphenyl)phenyl]butanedioic acid Traditional Name: 2-[3-(5-amidino-2H-benzimidazol-2-yl)-4-hydroxy-5-(3-methoxyphenyl)phenyl]succinic acid Formula: C25H22N4O6 MolecularWeight: 474.46538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=CC(=C2O)C3N=C4C=CC(=CC4=N3)C(=N)N)C(CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=CC(=C2O)C3N=C4C=CC(=CC4=N3)C(=N)N)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C25H22N4O6/c1-35-15-4-2-3-12(7-15)16-8-14(17(25(33)34)11-21(30)31)9-18(22(16)32)24-28-19-6-5-13(23(26)27)10-20(19)29-24/h2-10,17,24,32H,11H2,1H3,(H3,26,27)(H,30,31)(H,33,34)