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

Systemtic Name: 5-[[5-(cycloheptylmethyl)-1H-imidazol-4-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[5-(cycloheptylmethyl)-1H-imidazole-4-carbonyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[5-(cycloheptylmethyl)-1H-imidazol-4-yl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[5-(cycloheptylmethyl)-1H-imidazole-4-carbonyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[5-(cycloheptylmethyl)-1H-imidazole-4-carbonyl]amino]isophthalic acid Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)CC2=C(N=CN2)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CCCC(CC1)CC2=C(N=CN2)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H23N3O5/c24-18(23-15-9-13(19(25)26)8-14(10-15)20(27)28)17-16(21-11-22-17)7-12-5-3-1-2-4-6-12/h8-12H,1-7H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)