3-[[6-(4-tert-butylphenoxy)pyridin-3-yl]carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[6-(4-tert-butylphenoxy)pyridin-3-yl]carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[[6-(4-tert-butylphenoxy)-3-pyridyl]carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[[6-(4-tert-butylphenoxy)-3-pyridinyl]amino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[6-(4-tert-butylphenoxy)pyridin-3-yl]carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[6-(4-tert-butylphenoxy)-3-pyridyl]carbamoyl]pyrazinoic acid Formula: C21H20N4O4 MolecularWeight: 392.4079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=NC=C(C=C2)NC(=O)C3=NC=CN=C3C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=NC=C(C=C2)NC(=O)C3=NC=CN=C3C(=O)O

InChI

InChI=1S/C21H20N4O4/c1-21(2,3)13-4-7-15(8-5-13)29-16-9-6-14(12-24-16)25-19(26)17-18(20(27)28)23-11-10-22-17/h4-12H,1-3H3,(H,25,26)(H,27,28)