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

Systemtic Name: 2-[4-[[2-butyl-5-[(2-methyl-1-oxidanyl-propan-2-yl)carbamoyl]benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-5-[(2-hydroxy-1,1-dimethyl-ethyl)carbamoyl]benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-5-[[(1-hydroxy-2-methylpropan-2-yl)amino]-oxomethyl]-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]benzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-5-[(2-hydroxy-1,1-dimethyl-ethyl)carbamoyl]benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C30H33N3O4 MolecularWeight: 499.60072

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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)C(=O)NC(C)(C)CO

Isomeric SMILES

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

InChI

InChI=1S/C30H33N3O4/c1-4-5-10-27-31-25-17-22(28(35)32-30(2,3)19-34)15-16-26(25)33(27)18-20-11-13-21(14-12-20)23-8-6-7-9-24(23)29(36)37/h6-9,11-17,34H,4-5,10,18-19H2,1-3H3,(H,32,35)(H,36,37)