5-[[5-(cycloheptylmethyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[5-(cycloheptylmethyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[5-(cycloheptylmethyl)-2-(4-methoxyphenyl)-1H-imidazole-4-carbonyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[5-(cycloheptylmethyl)-2-(4-methoxyphenyl)-1H-imidazol-4-yl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[5-(cycloheptylmethyl)-2-(4-methoxyphenyl)-1H-imidazole-4-carbonyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[5-(cycloheptylmethyl)-2-(4-methoxyphenyl)-1H-imidazole-4-carbonyl]amino]isophthalic acid Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(N2)CC3CCCCCC3)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(N2)CC3CCCCCC3)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C27H29N3O6/c1-36-21-10-8-17(9-11-21)24-29-22(12-16-6-4-2-3-5-7-16)23(30-24)25(31)28-20-14-18(26(32)33)13-19(15-20)27(34)35/h8-11,13-16H,2-7,12H2,1H3,(H,28,31)(H,29,30)(H,32,33)(H,34,35)