2-[4-[(5-butyl-3-methyl-imidazo[4,5-d]imidazol-4-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(5-butyl-3-methyl-imidazo[4,5-d]imidazol-4-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-butyl-3-methyl-imidazo[4,5-d]imidazol-4-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5-butyl-3-methyl-4-imidazo[4,5-d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-butyl-3-methylimidazo[4,5-d]imidazol-4-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-butyl-3-methyl-imidaz[4,5-d]imidazol-4-yl)methyl]phenyl]benzoic acid Formula: C23H24N4O2 MolecularWeight: 388.46226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)N(C=N2)C

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)N(C=N2)C

InChI

InChI=1S/C23H24N4O2/c1-3-4-9-20-25-21-22(26(2)15-24-21)27(20)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23(28)29/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,28,29)