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

Systemtic Name: 5-(4-butoxyphenyl)pyrazine-2-carboxylic acid Openeye Name: 5-(4-butoxyphenyl)pyrazine-2-carboxylic acid CAS Name: 5-(4-butoxyphenyl)-2-pyrazinecarboxylic acid IUPAC Name: 5-(4-butoxyphenyl)pyrazine-2-carboxylic acid Traditional Name: 5-(4-butoxyphenyl)pyrazinoic acid Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)O

InChI

InChI=1S/C15H16N2O3/c1-2-3-8-20-12-6-4-11(5-7-12)13-9-17-14(10-16-13)15(18)19/h4-7,9-10H,2-3,8H2,1H3,(H,18,19)