5-methyldecan-5-yl 5-chloranylpyrazine-2-carboxylate

Systemtic Name: 5-methyldecan-5-yl 5-chloranylpyrazine-2-carboxylate Openeye Name: (1-butyl-1-methyl-hexyl) 5-chloropyrazine-2-carboxylate CAS Name: 5-chloro-2-pyrazinecarboxylic acid 5-methyldecan-5-yl ester IUPAC Name: 5-methyldecan-5-yl 5-chloropyrazine-2-carboxylate Traditional Name: 5-chloropyrazinic acid (1-butyl-1-methyl-hexyl) ester Formula: C16H25ClN2O2 MolecularWeight: 312.8349

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(CCCC)OC(=O)C1=CN=C(C=N1)Cl

Isomeric SMILES

CCCCCC(C)(CCCC)OC(=O)C1=CN=C(C=N1)Cl

InChI

InChI=1S/C16H25ClN2O2/c1-4-6-8-10-16(3,9-7-5-2)21-15(20)13-11-19-14(17)12-18-13/h11-12H,4-10H2,1-3H3