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

Systemtic Name: 5-[[5-(2-cycloheptylethyl)-2-phenyl-1H-imidazol-4-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[5-(2-cycloheptylethyl)-2-phenyl-1H-imidazole-4-carbonyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[5-(2-cycloheptylethyl)-2-phenyl-1H-imidazol-4-yl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[5-(2-cycloheptylethyl)-2-phenyl-1H-imidazole-4-carbonyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[5-(2-cycloheptylethyl)-2-phenyl-1H-imidazole-4-carbonyl]amino]isophthalic acid Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)CCC2=C(N=C(N2)C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1CCCC(CC1)CCC2=C(N=C(N2)C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C27H29N3O5/c31-25(28-21-15-19(26(32)33)14-20(16-21)27(34)35)23-22(13-12-17-8-4-1-2-5-9-17)29-24(30-23)18-10-6-3-7-11-18/h3,6-7,10-11,14-17H,1-2,4-5,8-9,12-13H2,(H,28,31)(H,29,30)(H,32,33)(H,34,35)