2-[4-[[5-(butanoylamino)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[5-(butanoylamino)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[5-(butanoylamino)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-5-(1-oxobutylamino)-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-(butanoylamino)-2-butylbenzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5-butyramido-benzimidazol-1-yl)methyl]phenyl]benzoic acid Formula: C29H31N3O3 MolecularWeight: 469.57474

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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=CC(=C2)NC(=O)CCC

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O3/c1-3-5-11-27-31-25-18-22(30-28(33)8-4-2)16-17-26(25)32(27)19-20-12-14-21(15-13-20)23-9-6-7-10-24(23)29(34)35/h6-7,9-10,12-18H,3-5,8,11,19H2,1-2H3,(H,30,33)(H,34,35)