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2-[4-[[2-butyl-4,7-bis(oxidanylidene)benzimidazol-1-yl]methyl]phenyl]benzoic acid

2-[4-[[2-butyl-4,7-bis(oxidanylidene)benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name:2-[4-[[2-butyl-4,7-bis(oxidanylidene)benzimidazol-1-yl]methyl]phenyl]benzoic acid
Openeye Name:2-[4-[(2-butyl-4,7-dioxo-benzimidazol-1-yl)methyl]phenyl]benzoic acid
CAS Name:2-[4-[(2-butyl-4,7-dioxo-1-benzimidazolyl)methyl]phenyl]benzoic acid
IUPAC Name:2-[4-[(2-butyl-4,7-dioxobenzimidazol-1-yl)methyl]phenyl]benzoic acid
Traditional Name:2-[4-[(2-butyl-4,7-diketo-benzimidazol-1-yl)methyl]phenyl]benzoic acid
Formula: C25H22N2O4
MolecularWeight: 414.45318
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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(=O)C=CC2=O


Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)C=CC2=O


InChI

InChI=1S/C25H22N2O4/c1-2-3-8-22-26-23-20(28)13-14-21(29)24(23)27(22)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)25(30)31/h4-7,9-14H,2-3,8,15H2,1H3,(H,30,31)


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