3-[[5-(2-methylbutyl)-2-(2-methylphenyl)-1H-imidazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[5-(2-methylbutyl)-2-(2-methylphenyl)-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-(2-methylbutyl)-2-(o-tolyl)-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-(2-methylbutyl)-2-(2-methylphenyl)-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-(2-methylbutyl)-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-(2-methylbutyl)-2-(o-tolyl)-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(N=C(N1)C2=CC=CC=C2C)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCC(C)CC1=C(N=C(N1)C2=CC=CC=C2C)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C23H25N3O3/c1-4-14(2)12-19-20(26-21(25-19)18-11-6-5-8-15(18)3)22(27)24-17-10-7-9-16(13-17)23(28)29/h5-11,13-14H,4,12H2,1-3H3,(H,24,27)(H,25,26)(H,28,29)