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

Systemtic Name: 2-[1-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]ethyl]benzoic acid Openeye Name: 2-[1-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]ethyl]benzoic acid CAS Name: 2-[1-[4-[(2-butyl-1-benzimidazolyl)methyl]phenyl]ethyl]benzoic acid IUPAC Name: 2-[1-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]ethyl]benzoic acid Traditional Name: 2-[1-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]ethyl]benzoic acid Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C(C)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C(C)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C27H28N2O2/c1-3-4-13-26-28-24-11-7-8-12-25(24)29(26)18-20-14-16-21(17-15-20)19(2)22-9-5-6-10-23(22)27(30)31/h5-12,14-17,19H,3-4,13,18H2,1-2H3,(H,30,31)