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

Systemtic Name: 2-[[1-(carboxymethyl)imidazol-4-yl]carbamoyl]benzoic acid; hexane Openeye Name: 2-[[1-(carboxymethyl)imidazol-4-yl]carbamoyl]benzoic acid; hexane CAS Name: 2-[[[1-(carboxymethyl)-4-imidazolyl]amino]-oxomethyl]benzoic acid; hexane IUPAC Name: 2-[[1-(carboxymethyl)imidazol-4-yl]carbamoyl]benzoic acid; hexane Traditional Name: 2-[[1-(carboxymethyl)imidazol-4-yl]carbamoyl]benzoic acid; n-hexane Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O5.C6H14/c17-11(18)6-16-5-10(14-7-16)15-12(19)8-3-1-2-4-9(8)13(20)21;1-3-5-6-4-2/h1-5,7H,6H2,(H,15,19)(H,17,18)(H,20,21);3-6H2,1-2H3