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

Systemtic Name: 5-[[5-(cycloheptylmethyl)-2-phenethyl-1H-imidazol-4-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[5-(cycloheptylmethyl)-2-phenethyl-1H-imidazole-4-carbonyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[5-(cycloheptylmethyl)-2-phenethyl-1H-imidazol-4-yl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[5-(cycloheptylmethyl)-2-phenethyl-1H-imidazole-4-carbonyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[5-(cycloheptylmethyl)-2-phenethyl-1H-imidazole-4-carbonyl]amino]isophthalic acid Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)CC2=C(N=C(N2)CCC3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1CCCC(CC1)CC2=C(N=C(N2)CCC3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C28H31N3O5/c32-26(29-22-16-20(27(33)34)15-21(17-22)28(35)36)25-23(14-19-10-4-1-2-5-11-19)30-24(31-25)13-12-18-8-6-3-7-9-18/h3,6-9,15-17,19H,1-2,4-5,10-14H2,(H,29,32)(H,30,31)(H,33,34)(H,35,36)