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

Systemtic Name: 5-[[5-(cycloheptylmethyl)-2-phenyl-1H-imidazol-4-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[5-(cycloheptylmethyl)-2-phenyl-1H-imidazole-4-carbonyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[5-(cycloheptylmethyl)-2-phenyl-1H-imidazol-4-yl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[5-(cycloheptylmethyl)-2-phenyl-1H-imidazole-4-carbonyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[5-(cycloheptylmethyl)-2-phenyl-1H-imidazole-4-carbonyl]amino]isophthalic acid Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)CC2=C(N=C(N2)C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1CCCC(CC1)CC2=C(N=C(N2)C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C26H27N3O5/c30-24(27-20-14-18(25(31)32)13-19(15-20)26(33)34)22-21(12-16-8-4-1-2-5-9-16)28-23(29-22)17-10-6-3-7-11-17/h3,6-7,10-11,13-16H,1-2,4-5,8-9,12H2,(H,27,30)(H,28,29)(H,31,32)(H,33,34)