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

Systemtic Name: 4-[3-(3-butoxyphenyl)pyrazin-2-yl]-2-propyl-pentanoate Openeye Name: 4-[3-(3-butoxyphenyl)pyrazin-2-yl]-2-propyl-pentanoate CAS Name: 4-[3-(3-butoxyphenyl)-2-pyrazinyl]-2-propylpentanoate IUPAC Name: 4-[3-(3-butoxyphenyl)pyrazin-2-yl]-2-propylpentanoate Traditional Name: 4-[3-(3-butoxyphenyl)pyrazin-2-yl]-2-propyl-valerate Formula: C22H29N2O3- MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC=CN=C2C(C)CC(CCC)C(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC=CN=C2C(C)CC(CCC)C(=O)[O-]

InChI

InChI=1S/C22H30N2O3/c1-4-6-13-27-19-10-7-9-17(15-19)21-20(23-11-12-24-21)16(3)14-18(8-5-2)22(25)26/h7,9-12,15-16,18H,4-6,8,13-14H2,1-3H3,(H,25,26)/p-1