2-[2-[3-(3-butylphenyl)pyrazin-2-yl]ethyl]pentanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1)C2=NC=CN=C2CCC(CCC)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC=CC(=C1)C2=NC=CN=C2CCC(CCC)C(=O)[O-]

InChI

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