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

Systemtic Name: 5-[[5-(cycloheptylmethyl)-2-(1H-indol-5-yl)-1H-imidazol-4-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[5-(cycloheptylmethyl)-2-(1H-indol-5-yl)-1H-imidazole-4-carbonyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[5-(cycloheptylmethyl)-2-(1H-indol-5-yl)-1H-imidazol-4-yl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[5-(cycloheptylmethyl)-2-(1H-indol-5-yl)-1H-imidazole-4-carbonyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[5-(cycloheptylmethyl)-2-(1H-indol-5-yl)-1H-imidazole-4-carbonyl]amino]isophthalic acid Formula: C28H28N4O5 MolecularWeight: 500.54572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)CC2=C(N=C(N2)C3=CC4=C(C=C3)NC=C4)C(=O)NC5=CC(=CC(=C5)C(=O)O)C(=O)O

Isomeric SMILES

C1CCCC(CC1)CC2=C(N=C(N2)C3=CC4=C(C=C3)NC=C4)C(=O)NC5=CC(=CC(=C5)C(=O)O)C(=O)O

InChI

InChI=1S/C28H28N4O5/c33-26(30-21-14-19(27(34)35)13-20(15-21)28(36)37)24-23(11-16-5-3-1-2-4-6-16)31-25(32-24)18-7-8-22-17(12-18)9-10-29-22/h7-10,12-16,29H,1-6,11H2,(H,30,33)(H,31,32)(H,34,35)(H,36,37)