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

Systemtic Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-oxidanyl-5-(3-propan-2-ylphenyl)phenyl]butanedioic acid Openeye Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-hydroxy-5-(3-isopropylphenyl)phenyl]butanedioic acid CAS Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-hydroxy-5-(3-propan-2-ylphenyl)phenyl]butanedioic acid IUPAC Name: 2-[3-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-hydroxy-5-(3-propan-2-ylphenyl)phenyl]butanedioic acid Traditional Name: 2-[3-(5-amidino-2H-benzimidazol-2-yl)-4-hydroxy-5-m-cumenyl-phenyl]succinic acid Formula: C27H26N4O5 MolecularWeight: 486.51914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=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/C27H26N4O5/c1-13(2)14-4-3-5-15(8-14)18-9-17(19(27(35)36)12-23(32)33)10-20(24(18)34)26-30-21-7-6-16(25(28)29)11-22(21)31-26/h3-11,13,19,26,34H,12H2,1-2H3,(H3,28,29)(H,32,33)(H,35,36)