6-methyldodecan-6-yl 5-chloranylpyrazine-2-carboxylate

Systemtic Name: 6-methyldodecan-6-yl 5-chloranylpyrazine-2-carboxylate Openeye Name: (1-methyl-1-pentyl-heptyl) 5-chloropyrazine-2-carboxylate CAS Name: 5-chloro-2-pyrazinecarboxylic acid 6-methyldodecan-6-yl ester IUPAC Name: 6-methyldodecan-6-yl 5-chloropyrazine-2-carboxylate Traditional Name: 5-chloropyrazinic acid (1-amyl-1-methyl-heptyl) ester Formula: C18H29ClN2O2 MolecularWeight: 340.88806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(CCCCC)OC(=O)C1=CN=C(C=N1)Cl

Isomeric SMILES

CCCCCCC(C)(CCCCC)OC(=O)C1=CN=C(C=N1)Cl

InChI

InChI=1S/C18H29ClN2O2/c1-4-6-8-10-12-18(3,11-9-7-5-2)23-17(22)15-13-21-16(19)14-20-15/h13-14H,4-12H2,1-3H3