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

Systemtic Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-5-(3,4-dimethylphenyl)-4-oxidanyl-phenyl]butanedioic acid Openeye Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-5-(3,4-dimethylphenyl)-4-hydroxy-phenyl]butanedioic acid CAS Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-5-(3,4-dimethylphenyl)-4-hydroxyphenyl]butanedioic acid IUPAC Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-5-(3,4-dimethylphenyl)-4-hydroxyphenyl]butanedioic acid Traditional Name: 2-[3-(5-amidino-2H-benzimidazol-2-yl)-5-(3,4-dimethylphenyl)-4-hydroxy-phenyl]succinic acid Formula: C26H24N4O5 MolecularWeight: 472.49256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=CC(=C2O)C3N=C4C=CC(=CC4=N3)C(=N)N)C(CC(=O)O)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=CC(=C2O)C3N=C4C=CC(=CC4=N3)C(=N)N)C(CC(=O)O)C(=O)O)C

InChI

InChI=1S/C26H24N4O5/c1-12-3-4-14(7-13(12)2)17-8-16(18(26(34)35)11-22(31)32)9-19(23(17)33)25-29-20-6-5-15(24(27)28)10-21(20)30-25/h3-10,18,25,33H,11H2,1-2H3,(H3,27,28)(H,31,32)(H,34,35)