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

Systemtic Name: [4-(5-decylpyrazin-2-yl)phenyl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [4-(5-decylpyrazin-2-yl)phenyl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid [4-(5-decyl-2-pyrazinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrazin-2-yl)phenyl] 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [4-(5-decylpyrazin-2-yl)phenyl] ester Formula: C26H37ClN2O2 MolecularWeight: 445.03718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

Isomeric SMILES

CCCCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

InChI

InChI=1S/C26H37ClN2O2/c1-4-6-7-8-9-10-11-12-13-22-18-29-24(19-28-22)21-14-16-23(17-15-21)31-26(30)25(27)20(3)5-2/h14-20,25H,4-13H2,1-3H3