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

Systemtic Name: 4-[3-(3-nonylphenyl)pyrazin-2-yl]-2-propyl-pentanoic acid Openeye Name: 4-[3-(3-nonylphenyl)pyrazin-2-yl]-2-propyl-pentanoic acid CAS Name: 4-[3-(3-nonylphenyl)-2-pyrazinyl]-2-propylpentanoic acid IUPAC Name: 4-[3-(3-nonylphenyl)pyrazin-2-yl]-2-propylpentanoic acid Traditional Name: 4-[3-(3-nonylphenyl)pyrazin-2-yl]-2-propyl-valeric acid Formula: C27H40N2O2 MolecularWeight: 424.6187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC(=C1)C2=NC=CN=C2C(C)CC(CCC)C(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=CC(=C1)C2=NC=CN=C2C(C)CC(CCC)C(=O)O

InChI

InChI=1S/C27H40N2O2/c1-4-6-7-8-9-10-11-14-22-15-12-16-23(20-22)26-25(28-17-18-29-26)21(3)19-24(13-5-2)27(30)31/h12,15-18,20-21,24H,4-11,13-14,19H2,1-3H3,(H,30,31)