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

Systemtic Name: 5-(4-hexoxyphenyl)pyrazine-2-carboxylic acid Openeye Name: 5-(4-hexoxyphenyl)pyrazine-2-carboxylic acid CAS Name: 5-(4-hexoxyphenyl)-2-pyrazinecarboxylic acid IUPAC Name: 5-(4-hexoxyphenyl)pyrazine-2-carboxylic acid Traditional Name: 5-(4-hexoxyphenyl)pyrazinoic acid Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)O

InChI

InChI=1S/C17H20N2O3/c1-2-3-4-5-10-22-14-8-6-13(7-9-14)15-11-19-16(12-18-15)17(20)21/h6-9,11-12H,2-5,10H2,1H3,(H,20,21)