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

Systemtic Name: 2-[4-[(4-nitro-2-propyl-benzimidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(4-nitro-2-propyl-benzimidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(4-nitro-2-propyl-1-benzimidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(4-nitro-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(4-nitro-2-propyl-benzimidazol-1-yl)methyl]phenyl]benzoic acid Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O4/c1-2-6-22-25-23-20(9-5-10-21(23)27(30)31)26(22)15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)24(28)29/h3-5,7-14H,2,6,15H2,1H3,(H,28,29)