2-[[1-(carboxymethyl)imidazol-4-yl]carbamoyl]-5-methyl-benzoic acid; hexane

Systemtic Name: 2-[[1-(carboxymethyl)imidazol-4-yl]carbamoyl]-5-methyl-benzoic acid; hexane Openeye Name: 2-[[1-(carboxymethyl)imidazol-4-yl]carbamoyl]-5-methyl-benzoic acid; hexane CAS Name: 2-[[[1-(carboxymethyl)-4-imidazolyl]amino]-oxomethyl]-5-methylbenzoic acid; hexane IUPAC Name: 2-[[1-(carboxymethyl)imidazol-4-yl]carbamoyl]-5-methylbenzoic acid; hexane Traditional Name: 2-[[1-(carboxymethyl)imidazol-4-yl]carbamoyl]-5-methyl-benzoic acid; n-hexane Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.CC1=CC(=C(C=C1)C(=O)NC2=CN(C=N2)CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCC.CC1=CC(=C(C=C1)C(=O)NC2=CN(C=N2)CC(=O)O)C(=O)O

InChI

InChI=1S/C14H13N3O5.C6H14/c1-8-2-3-9(10(4-8)14(21)22)13(20)16-11-5-17(7-15-11)6-12(18)19;1-3-5-6-4-2/h2-5,7H,6H2,1H3,(H,16,20)(H,18,19)(H,21,22);3-6H2,1-2H3