2-[4-[(2-butyl-4-nitro-benzimidazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-butyl-4-nitro-benzimidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-4-nitro-benzimidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-4-nitro-1-benzimidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-4-nitrobenzimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-4-nitro-benzimidazol-1-yl)methyl]phenyl]benzoic acid Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O4/c1-2-3-11-23-26-24-21(9-6-10-22(24)28(31)32)27(23)16-17-12-14-18(15-13-17)19-7-4-5-8-20(19)25(29)30/h4-10,12-15H,2-3,11,16H2,1H3,(H,29,30)