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4-[3-(3-octylphenyl)pyrazin-2-yl]-2-propyl-pentanoic acid

4-[3-(3-octylphenyl)pyrazin-2-yl]-2-propyl-pentanoic acid

Systemtic Name:4-[3-(3-octylphenyl)pyrazin-2-yl]-2-propyl-pentanoic acid
Openeye Name:4-[3-(3-octylphenyl)pyrazin-2-yl]-2-propyl-pentanoic acid
CAS Name:4-[3-(3-octylphenyl)-2-pyrazinyl]-2-propylpentanoic acid
IUPAC Name:4-[3-(3-octylphenyl)pyrazin-2-yl]-2-propylpentanoic acid
Traditional Name:4-[3-(3-octylphenyl)pyrazin-2-yl]-2-propyl-valeric acid
Formula: C26H38N2O2
MolecularWeight: 410.59212
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC(=C1)C2=NC=CN=C2C(C)CC(CCC)C(=O)O


Isomeric SMILES

CCCCCCCCC1=CC=CC(=C1)C2=NC=CN=C2C(C)CC(CCC)C(=O)O


InChI

InChI=1S/C26H38N2O2/c1-4-6-7-8-9-10-13-21-14-11-15-22(19-21)25-24(27-16-17-28-25)20(3)18-23(12-5-2)26(29)30/h11,14-17,19-20,23H,4-10,12-13,18H2,1-3H3,(H,29,30)


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