[4-(5-pentylpyrazin-2-yl)phenyl] 2-chloranyl-3-methyl-pentanoate

Systemtic Name: [4-(5-pentylpyrazin-2-yl)phenyl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [4-(5-pentylpyrazin-2-yl)phenyl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid [4-(5-pentyl-2-pyrazinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrazin-2-yl)phenyl] 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [4-(5-amylpyrazin-2-yl)phenyl] ester Formula: C21H27ClN2O2 MolecularWeight: 374.90428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

Isomeric SMILES

CCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

InChI

InChI=1S/C21H27ClN2O2/c1-4-6-7-8-17-13-24-19(14-23-17)16-9-11-18(12-10-16)26-21(25)20(22)15(3)5-2/h9-15,20H,4-8H2,1-3H3