2-[[1-(carboxymethyl)imidazol-4-yl]carbamoyl]-3-fluoranyl-benzoic acid; hexane

Systemtic Name: 2-[[1-(carboxymethyl)imidazol-4-yl]carbamoyl]-3-fluoranyl-benzoic acid; hexane Openeye Name: 2-[[1-(carboxymethyl)imidazol-4-yl]carbamoyl]-3-fluoro-benzoic acid; hexane CAS Name: 2-[[[1-(carboxymethyl)-4-imidazolyl]amino]-oxomethyl]-3-fluorobenzoic acid; hexane IUPAC Name: 2-[[1-(carboxymethyl)imidazol-4-yl]carbamoyl]-3-fluorobenzoic acid; hexane Traditional Name: 2-[[1-(carboxymethyl)imidazol-4-yl]carbamoyl]-3-fluoro-benzoic acid; n-hexane Formula: C19H24FN3O5 MolecularWeight: 393.409363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.C1=CC(=C(C(=C1)F)C(=O)NC2=CN(C=N2)CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCC.C1=CC(=C(C(=C1)F)C(=O)NC2=CN(C=N2)CC(=O)O)C(=O)O

InChI

InChI=1S/C13H10FN3O5.C6H14/c14-8-3-1-2-7(13(21)22)11(8)12(20)16-9-4-17(6-15-9)5-10(18)19;1-3-5-6-4-2/h1-4,6H,5H2,(H,16,20)(H,18,19)(H,21,22);3-6H2,1-2H3