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

Systemtic Name: 2-propyl-4-[3-(3-propylphenyl)pyrazin-2-yl]pentanoate Openeye Name: 2-propyl-4-[3-(3-propylphenyl)pyrazin-2-yl]pentanoate CAS Name: 2-propyl-4-[3-(3-propylphenyl)-2-pyrazinyl]pentanoate IUPAC Name: 2-propyl-4-[3-(3-propylphenyl)pyrazin-2-yl]pentanoate Traditional Name: 2-propyl-4-[3-(3-propylphenyl)pyrazin-2-yl]valerate Formula: C21H27N2O2- MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1)C2=NC=CN=C2C(C)CC(CCC)C(=O)[O-]

Isomeric SMILES

CCCC1=CC=CC(=C1)C2=NC=CN=C2C(C)CC(CCC)C(=O)[O-]

InChI

InChI=1S/C21H28N2O2/c1-4-7-16-9-6-10-17(14-16)20-19(22-11-12-23-20)15(3)13-18(8-5-2)21(24)25/h6,9-12,14-15,18H,4-5,7-8,13H2,1-3H3,(H,24,25)/p-1