2-[[3-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]pyrazol-1-yl]methyl]benzoic acid

Systemtic Name: 2-[[3-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]pyrazol-1-yl]methyl]benzoic acid Openeye Name: 2-[[3-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]pyrazol-1-yl]methyl]benzoic acid CAS Name: 2-[[3-[4-[(2-butyl-1-benzimidazolyl)methyl]phenyl]-1-pyrazolyl]methyl]benzoic acid IUPAC Name: 2-[[3-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]pyrazol-1-yl]methyl]benzoic acid Traditional Name: 2-[[3-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]pyrazol-1-yl]methyl]benzoic acid Formula: C29H28N4O2 MolecularWeight: 464.55822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C4=NN(C=C4)CC5=CC=CC=C5C(=O)O

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C4=NN(C=C4)CC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C29H28N4O2/c1-2-3-12-28-30-26-10-6-7-11-27(26)33(28)19-21-13-15-22(16-14-21)25-17-18-32(31-25)20-23-8-4-5-9-24(23)29(34)35/h4-11,13-18H,2-3,12,19-20H2,1H3,(H,34,35)