5-(4-pentoxyphenyl)pyrazine-2-carboxylic acid

Systemtic Name: 5-(4-pentoxyphenyl)pyrazine-2-carboxylic acid Openeye Name: 5-(4-pentoxyphenyl)pyrazine-2-carboxylic acid CAS Name: 5-(4-pentoxyphenyl)-2-pyrazinecarboxylic acid IUPAC Name: 5-(4-pentoxyphenyl)pyrazine-2-carboxylic acid Traditional Name: 5-(4-amoxyphenyl)pyrazinoic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)O

InChI

InChI=1S/C16H18N2O3/c1-2-3-4-9-21-13-7-5-12(6-8-13)14-10-18-15(11-17-14)16(19)20/h5-8,10-11H,2-4,9H2,1H3,(H,19,20)