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

Systemtic Name: 1-[1-(3-heptoxyphenyl)-2H-pyrazin-5-yl]propan-2-yl pentanoate Openeye Name: [2-[1-(3-heptoxyphenyl)-2H-pyrazin-5-yl]-1-methyl-ethyl] pentanoate CAS Name: pentanoic acid 1-[1-(3-heptoxyphenyl)-2H-pyrazin-5-yl]propan-2-yl ester IUPAC Name: 1-[1-(3-heptoxyphenyl)-2H-pyrazin-5-yl]propan-2-yl pentanoate Traditional Name: valeric acid [2-[1-(3-heptoxyphenyl)-2H-pyrazin-5-yl]-1-methyl-ethyl] ester Formula: C25H38N2O3 MolecularWeight: 414.58082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)N2CC=NC(=C2)CC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)N2CC=NC(=C2)CC(C)OC(=O)CCCC

InChI

InChI=1S/C25H38N2O3/c1-4-6-8-9-10-17-29-24-13-11-12-23(19-24)27-16-15-26-22(20-27)18-21(3)30-25(28)14-7-5-2/h11-13,15,19-21H,4-10,14,16-18H2,1-3H3