1-[(4-ethylphenyl)methyl]imidazole-4,5-dicarboxylic acid

Systemtic Name: 1-[(4-ethylphenyl)methyl]imidazole-4,5-dicarboxylic acid Openeye Name: 1-[(4-ethylphenyl)methyl]imidazole-4,5-dicarboxylic acid CAS Name: 1-[(4-ethylphenyl)methyl]imidazole-4,5-dicarboxylic acid IUPAC Name: 1-[(4-ethylphenyl)methyl]imidazole-4,5-dicarboxylic acid Traditional Name: 1-(4-ethylbenzyl)imidazole-4,5-dicarboxylic acid Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C=NC(=C2C(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C=NC(=C2C(=O)O)C(=O)O

InChI

InChI=1S/C14H14N2O4/c1-2-9-3-5-10(6-4-9)7-16-8-15-11(13(17)18)12(16)14(19)20/h3-6,8H,2,7H2,1H3,(H,17,18)(H,19,20)