3-(5-methyl-2-propan-2-yl-phenoxy)carbonylpyrazine-2-carboxylic acid

Systemtic Name: 3-(5-methyl-2-propan-2-yl-phenoxy)carbonylpyrazine-2-carboxylic acid Openeye Name: 3-(2-isopropyl-5-methyl-phenoxy)carbonylpyrazine-2-carboxylic acid CAS Name: 3-[(5-methyl-2-propan-2-ylphenoxy)-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-(5-methyl-2-propan-2-ylphenoxy)carbonylpyrazine-2-carboxylic acid Traditional Name: 3-(2-isopropyl-5-methyl-phenoxy)carbonylpyrazinoic acid Formula: C16H16N2O4 MolecularWeight: 300.30924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=NC=CN=C2C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=NC=CN=C2C(=O)O

InChI

InChI=1S/C16H16N2O4/c1-9(2)11-5-4-10(3)8-12(11)22-16(21)14-13(15(19)20)17-6-7-18-14/h4-9H,1-3H3,(H,19,20)