2-[[1-(2-carboxyethyl)-2-hexyl-imidazol-4-yl]carbamoyl]-6-oxidanyl-benzoic acid

Systemtic Name: 2-[[1-(2-carboxyethyl)-2-hexyl-imidazol-4-yl]carbamoyl]-6-oxidanyl-benzoic acid Openeye Name: 2-[[1-(2-carboxyethyl)-2-hexyl-imidazol-4-yl]carbamoyl]-6-hydroxy-benzoic acid CAS Name: 2-[[[1-(2-carboxyethyl)-2-hexyl-4-imidazolyl]amino]-oxomethyl]-6-hydroxybenzoic acid IUPAC Name: 2-[[1-(2-carboxyethyl)-2-hexylimidazol-4-yl]carbamoyl]-6-hydroxybenzoic acid Traditional Name: 2-[[1-(2-carboxyethyl)-2-hexyl-imidazol-4-yl]carbamoyl]-6-hydroxy-benzoic acid Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC(=CN1CCC(=O)O)NC(=O)C2=C(C(=CC=C2)O)C(=O)O

Isomeric SMILES

CCCCCCC1=NC(=CN1CCC(=O)O)NC(=O)C2=C(C(=CC=C2)O)C(=O)O

InChI

InChI=1S/C20H25N3O6/c1-2-3-4-5-9-16-21-15(12-23(16)11-10-17(25)26)22-19(27)13-7-6-8-14(24)18(13)20(28)29/h6-8,12,24H,2-5,9-11H2,1H3,(H,22,27)(H,25,26)(H,28,29)