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

Systemtic Name: 3-[[5-(2-cycloheptylethyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-(2-cycloheptylethyl)-2-(3-methoxyphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-(2-cycloheptylethyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-(2-cycloheptylethyl)-2-(3-methoxyphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-(2-cycloheptylethyl)-2-(3-methoxyphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=C(N2)CCC3CCCCCC3)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=C(N2)CCC3CCCCCC3)C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C27H31N3O4/c1-34-22-13-7-10-19(17-22)25-29-23(15-14-18-8-4-2-3-5-9-18)24(30-25)26(31)28-21-12-6-11-20(16-21)27(32)33/h6-7,10-13,16-18H,2-5,8-9,14-15H2,1H3,(H,28,31)(H,29,30)(H,32,33)