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

Systemtic Name: 4-[3-(3-hexylphenyl)pyrazin-2-yl]-2-propyl-pentanoate Openeye Name: 4-[3-(3-hexylphenyl)pyrazin-2-yl]-2-propyl-pentanoate CAS Name: 4-[3-(3-hexylphenyl)-2-pyrazinyl]-2-propylpentanoate IUPAC Name: 4-[3-(3-hexylphenyl)pyrazin-2-yl]-2-propylpentanoate Traditional Name: 4-[3-(3-hexylphenyl)pyrazin-2-yl]-2-propyl-valerate Formula: C24H33N2O2- MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC(=C1)C2=NC=CN=C2C(C)CC(CCC)C(=O)[O-]

Isomeric SMILES

CCCCCCC1=CC=CC(=C1)C2=NC=CN=C2C(C)CC(CCC)C(=O)[O-]

InChI

InChI=1S/C24H34N2O2/c1-4-6-7-8-11-19-12-9-13-20(17-19)23-22(25-14-15-26-23)18(3)16-21(10-5-2)24(27)28/h9,12-15,17-18,21H,4-8,10-11,16H2,1-3H3,(H,27,28)/p-1