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

Systemtic Name: 5-(4-nonoxyphenyl)pyrazine-2-carboxylic acid Openeye Name: 5-(4-nonoxyphenyl)pyrazine-2-carboxylic acid CAS Name: 5-(4-nonoxyphenyl)-2-pyrazinecarboxylic acid IUPAC Name: 5-(4-nonoxyphenyl)pyrazine-2-carboxylic acid Traditional Name: 5-(4-nonoxyphenyl)pyrazinoic acid Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)O

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)O

InChI

InChI=1S/C20H26N2O3/c1-2-3-4-5-6-7-8-13-25-17-11-9-16(10-12-17)18-14-22-19(15-21-18)20(23)24/h9-12,14-15H,2-8,13H2,1H3,(H,23,24)