3-(octylcarbamoyl)pyrazine-2-carboxylic acid

Systemtic Name: 3-(octylcarbamoyl)pyrazine-2-carboxylic acid Openeye Name: 3-(octylcarbamoyl)pyrazine-2-carboxylic acid CAS Name: 3-[(octylamino)-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-(octylcarbamoyl)pyrazine-2-carboxylic acid Traditional Name: 3-(octylcarbamoyl)pyrazinoic acid Formula: C14H21N3O3 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1=NC=CN=C1C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)C1=NC=CN=C1C(=O)O

InChI

InChI=1S/C14H21N3O3/c1-2-3-4-5-6-7-8-17-13(18)11-12(14(19)20)16-10-9-15-11/h9-10H,2-8H2,1H3,(H,17,18)(H,19,20)