1-[1-(3-nonoxyphenyl)-2H-pyrazin-5-yl]propan-2-yl pentanoate

Systemtic Name: 1-[1-(3-nonoxyphenyl)-2H-pyrazin-5-yl]propan-2-yl pentanoate Openeye Name: [1-methyl-2-[1-(3-nonoxyphenyl)-2H-pyrazin-5-yl]ethyl] pentanoate CAS Name: pentanoic acid 1-[1-(3-nonoxyphenyl)-2H-pyrazin-5-yl]propan-2-yl ester IUPAC Name: 1-[1-(3-nonoxyphenyl)-2H-pyrazin-5-yl]propan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-2-[1-(3-nonoxyphenyl)-2H-pyrazin-5-yl]ethyl] ester Formula: C27H42N2O3 MolecularWeight: 442.63398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=CC(=C1)N2CC=NC(=C2)CC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCCOC1=CC=CC(=C1)N2CC=NC(=C2)CC(C)OC(=O)CCCC

InChI

InChI=1S/C27H42N2O3/c1-4-6-8-9-10-11-12-19-31-26-15-13-14-25(21-26)29-18-17-28-24(22-29)20-23(3)32-27(30)16-7-5-2/h13-15,17,21-23H,4-12,16,18-20H2,1-3H3