octan-2-yl 4-(5-hexylpyrazin-2-yl)benzoate

Systemtic Name: octan-2-yl 4-(5-hexylpyrazin-2-yl)benzoate Openeye Name: 1-methylheptyl 4-(5-hexylpyrazin-2-yl)benzoate CAS Name: 4-(5-hexyl-2-pyrazinyl)benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-(5-hexylpyrazin-2-yl)benzoate Traditional Name: 4-(5-hexylpyrazin-2-yl)benzoic acid 1-methylheptyl ester Formula: C25H36N2O2 MolecularWeight: 396.56554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O2/c1-4-6-8-10-12-20(3)29-25(28)22-16-14-21(15-17-22)24-19-26-23(18-27-24)13-11-9-7-5-2/h14-20H,4-13H2,1-3H3