2-[2,3,5-trimethyl-4-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)phenyl]propanoic acid

Systemtic Name: 2-[2,3,5-trimethyl-4-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)phenyl]propanoic acid Openeye Name: 2-[4-isobutyl-2,3,5-trimethyl-6-(pyrazin-2-ylmethyl)phenyl]propanoic acid CAS Name: 2-[2,3,5-trimethyl-4-(2-methylpropyl)-6-(2-pyrazinylmethyl)phenyl]propanoic acid IUPAC Name: 2-[2,3,5-trimethyl-4-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)phenyl]propanoic acid Traditional Name: 2-[4-isobutyl-2,3,5-trimethyl-6-(pyrazin-2-ylmethyl)phenyl]propionic acid Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1CC(C)C)C)CC2=NC=CN=C2)C(C)C(=O)O)C

Isomeric SMILES

CC1=C(C(=C(C(=C1CC(C)C)C)CC2=NC=CN=C2)C(C)C(=O)O)C

InChI

InChI=1S/C21H28N2O2/c1-12(2)9-18-13(3)14(4)20(16(6)21(24)25)19(15(18)5)10-17-11-22-7-8-23-17/h7-8,11-12,16H,9-10H2,1-6H3,(H,24,25)