3-[2-butyl-6-(pentanoylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid

Systemtic Name: 3-[2-butyl-6-(pentanoylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[2-butyl-6-(pentanoylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[2-butyl-6-(1-oxopentylamino)-1-benzimidazolyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[2-butyl-6-(pentanoylamino)benzimidazol-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[2-butyl-6-(valerylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C30H33N3O3 MolecularWeight: 483.60132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C=C(C=C2)NC(=O)CCCC

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C=C(C=C2)NC(=O)CCCC

InChI

InChI=1S/C30H33N3O3/c1-4-6-13-27-32-24-17-15-22(31-28(34)14-7-5-2)19-26(24)33(27)25-18-16-23(21-11-9-8-10-12-21)29(20(25)3)30(35)36/h8-12,15-19H,4-7,13-14H2,1-3H3,(H,31,34)(H,35,36)