[4-(5-hexylpyrazin-2-yl)phenyl] 2-methyl-3-propoxy-propanoate

Systemtic Name: [4-(5-hexylpyrazin-2-yl)phenyl] 2-methyl-3-propoxy-propanoate Openeye Name: [4-(5-hexylpyrazin-2-yl)phenyl] 2-methyl-3-propoxy-propanoate CAS Name: 2-methyl-3-propoxypropanoic acid [4-(5-hexyl-2-pyrazinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrazin-2-yl)phenyl] 2-methyl-3-propoxypropanoate Traditional Name: 2-methyl-3-propoxy-propionic acid [4-(5-hexylpyrazin-2-yl)phenyl] ester Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O3/c1-4-6-7-8-9-20-15-25-22(16-24-20)19-10-12-21(13-11-19)28-23(26)18(3)17-27-14-5-2/h10-13,15-16,18H,4-9,14,17H2,1-3H3