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

Systemtic Name: 5-(4-decoxyphenyl)pyrazine-2-carboxylic acid Openeye Name: 5-(4-decoxyphenyl)pyrazine-2-carboxylic acid CAS Name: 5-(4-decoxyphenyl)-2-pyrazinecarboxylic acid IUPAC Name: 5-(4-decoxyphenyl)pyrazine-2-carboxylic acid Traditional Name: 5-(4-decoxyphenyl)pyrazinoic acid Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)O

InChI

InChI=1S/C21H28N2O3/c1-2-3-4-5-6-7-8-9-14-26-18-12-10-17(11-13-18)19-15-23-20(16-22-19)21(24)25/h10-13,15-16H,2-9,14H2,1H3,(H,24,25)