3-(3-bromanyl-2,6-diethyl-phenyl)imidazole-4-carboxylic acid

Systemtic Name: 3-(3-bromanyl-2,6-diethyl-phenyl)imidazole-4-carboxylic acid Openeye Name: 3-(3-bromo-2,6-diethyl-phenyl)imidazole-4-carboxylic acid CAS Name: 3-(3-bromo-2,6-diethylphenyl)-4-imidazolecarboxylic acid IUPAC Name: 3-(3-bromo-2,6-diethylphenyl)imidazole-4-carboxylic acid Traditional Name: 3-(3-bromo-2,6-diethyl-phenyl)imidazole-4-carboxylic acid Formula: C14H15BrN2O2 MolecularWeight: 323.1851

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Br)CC)N2C=NC=C2C(=O)O

Isomeric SMILES

CCC1=C(C(=C(C=C1)Br)CC)N2C=NC=C2C(=O)O

InChI

InChI=1S/C14H15BrN2O2/c1-3-9-5-6-11(15)10(4-2)13(9)17-8-16-7-12(17)14(18)19/h5-8H,3-4H2,1-2H3,(H,18,19)