2-[[2-hexyl-1-(4-oxidanyl-4-oxidanylidene-butyl)imidazol-4-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-hexyl-1-(4-oxidanyl-4-oxidanylidene-butyl)imidazol-4-yl]carbamoyl]benzoic acid Openeye Name: 2-[[2-hexyl-1-(4-hydroxy-4-oxo-butyl)imidazol-4-yl]carbamoyl]benzoic acid CAS Name: 2-[[[2-hexyl-1-(4-hydroxy-4-oxobutyl)-4-imidazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-hexyl-1-(4-hydroxy-4-oxobutyl)imidazol-4-yl]carbamoyl]benzoic acid Traditional Name: 2-[[2-hexyl-1-(4-hydroxy-4-keto-butyl)imidazol-4-yl]carbamoyl]benzoic acid Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC(=CN1CCCC(=O)O)NC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCCCC1=NC(=CN1CCCC(=O)O)NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C21H27N3O5/c1-2-3-4-5-11-18-22-17(14-24(18)13-8-12-19(25)26)23-20(27)15-9-6-7-10-16(15)21(28)29/h6-7,9-10,14H,2-5,8,11-13H2,1H3,(H,23,27)(H,25,26)(H,28,29)