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

Systemtic Name: [4-(5-hexylpyrazin-2-yl)phenyl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [4-(5-hexylpyrazin-2-yl)phenyl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid [4-(5-hexyl-2-pyrazinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrazin-2-yl)phenyl] 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [4-(5-hexylpyrazin-2-yl)phenyl] ester Formula: C22H29ClN2O2 MolecularWeight: 388.93086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

Isomeric SMILES

CCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

InChI

InChI=1S/C22H29ClN2O2/c1-4-6-7-8-9-18-14-25-20(15-24-18)17-10-12-19(13-11-17)27-22(26)21(23)16(3)5-2/h10-16,21H,4-9H2,1-3H3