2-[4-[[2-butyl-6-(2-oxidanylidenepiperidin-1-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-6-(2-oxidanylidenepiperidin-1-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-6-(2-oxo-1-piperidyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-6-(2-oxo-1-piperidinyl)-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-6-(2-oxopiperidin-1-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-6-(2-ketopiperidino)benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C30H31N3O3 MolecularWeight: 481.58544

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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=C(C=C2)N5CCCCC5=O

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)N5CCCCC5=O

InChI

InChI=1S/C30H31N3O3/c1-2-3-10-28-31-26-17-16-23(32-18-7-6-11-29(32)34)19-27(26)33(28)20-21-12-14-22(15-13-21)24-8-4-5-9-25(24)30(35)36/h4-5,8-9,12-17,19H,2-3,6-7,10-11,18,20H2,1H3,(H,35,36)