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

Systemtic Name: 2-[4-[[2-butyl-7-(2-chloroethyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-7-(2-chloroethyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-7-(2-chloroethyl)-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-7-(2-chloroethyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-7-(2-chloroethyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C27H27ClN2O2 MolecularWeight: 446.96848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN2O2/c1-2-3-11-25-29-24-10-6-7-21(16-17-28)26(24)30(25)18-19-12-14-20(15-13-19)22-8-4-5-9-23(22)27(31)32/h4-10,12-15H,2-3,11,16-18H2,1H3,(H,31,32)