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

Systemtic Name: [4-(5-heptylpyrazin-2-yl)phenyl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [4-(5-heptylpyrazin-2-yl)phenyl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid [4-(5-heptyl-2-pyrazinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrazin-2-yl)phenyl] 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [4-(5-heptylpyrazin-2-yl)phenyl] ester Formula: C23H31ClN2O2 MolecularWeight: 402.95744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

Isomeric SMILES

CCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

InChI

InChI=1S/C23H31ClN2O2/c1-4-6-7-8-9-10-19-15-26-21(16-25-19)18-11-13-20(14-12-18)28-23(27)22(24)17(3)5-2/h11-17,22H,4-10H2,1-3H3