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

Systemtic Name: 3-[2-butyl-6-(cyclopentylcarbonylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[2-butyl-6-(cyclopentanecarbonylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[2-butyl-6-[[cyclopentyl(oxo)methyl]amino]-1-benzimidazolyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[2-butyl-6-(cyclopentanecarbonylamino)benzimidazol-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[2-butyl-6-(cyclopentanecarbonylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C31H33N3O3 MolecularWeight: 495.61202

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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)C5CCCC5

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)C5CCCC5

InChI

InChI=1S/C31H33N3O3/c1-3-4-14-28-33-25-17-15-23(32-30(35)22-12-8-9-13-22)19-27(25)34(28)26-18-16-24(21-10-6-5-7-11-21)29(20(26)2)31(36)37/h5-7,10-11,15-19,22H,3-4,8-9,12-14H2,1-2H3,(H,32,35)(H,36,37)