4-[3-(3-nonoxyphenyl)pyrazin-2-yl]-2-propyl-pentanoate

Systemtic Name: 4-[3-(3-nonoxyphenyl)pyrazin-2-yl]-2-propyl-pentanoate Openeye Name: 4-[3-(3-nonoxyphenyl)pyrazin-2-yl]-2-propyl-pentanoate CAS Name: 4-[3-(3-nonoxyphenyl)-2-pyrazinyl]-2-propylpentanoate IUPAC Name: 4-[3-(3-nonoxyphenyl)pyrazin-2-yl]-2-propylpentanoate Traditional Name: 4-[3-(3-nonoxyphenyl)pyrazin-2-yl]-2-propyl-valerate Formula: C27H39N2O3- MolecularWeight: 439.61016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=CC(=C1)C2=NC=CN=C2C(C)CC(CCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCOC1=CC=CC(=C1)C2=NC=CN=C2C(C)CC(CCC)C(=O)[O-]

InChI

InChI=1S/C27H40N2O3/c1-4-6-7-8-9-10-11-18-32-24-15-12-14-22(20-24)26-25(28-16-17-29-26)21(3)19-23(13-5-2)27(30)31/h12,14-17,20-21,23H,4-11,13,18-19H2,1-3H3,(H,30,31)/p-1