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

Systemtic Name: 2-[4-[(2-butyl-6-piperidin-1-yl-benzimidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-6-(1-piperidyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-6-(1-piperidinyl)-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-6-piperidin-1-ylbenzimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-6-piperidino-benzimidazol-1-yl)methyl]phenyl]benzoic acid Formula: C30H33N3O2 MolecularWeight: 467.60192

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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

Isomeric SMILES

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

InChI

InChI=1S/C30H33N3O2/c1-2-3-11-29-31-27-17-16-24(32-18-7-4-8-19-32)20-28(27)33(29)21-22-12-14-23(15-13-22)25-9-5-6-10-26(25)30(34)35/h5-6,9-10,12-17,20H,2-4,7-8,11,18-19,21H2,1H3,(H,34,35)