calcium 3-methyl-2-(1-pyrazin-2-ylethyl)pentanoate

Systemtic Name: calcium 3-methyl-2-(1-pyrazin-2-ylethyl)pentanoate Openeye Name: calcium 3-methyl-2-(1-pyrazin-2-ylethyl)pentanoate CAS Name: calcium 3-methyl-2-[1-(2-pyrazinyl)ethyl]pentanoate IUPAC Name: calcium 3-methyl-2-(1-pyrazin-2-ylethyl)pentanoate Traditional Name: calcium 3-methyl-2-(1-pyrazin-2-ylethyl)valerate Formula: C24H34CaN4O4 MolecularWeight: 482.62916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(C)C1=NC=CN=C1)C(=O)[O-].CCC(C)C(C(C)C1=NC=CN=C1)C(=O)[O-].[Ca+2]

Isomeric SMILES

CCC(C)C(C(C)C1=NC=CN=C1)C(=O)[O-].CCC(C)C(C(C)C1=NC=CN=C1)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C12H18N2O2.Ca/c2*1-4-8(2)11(12(15)16)9(3)10-7-13-5-6-14-10;/h2*5-9,11H,4H2,1-3H3,(H,15,16);/q;;+2/p-2