[4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-hexylbenzoate

Systemtic Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-hexylbenzoate Openeye Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [4-(2-methylbutoxy)-2-(2-pyrazinyl)phenyl] ester IUPAC Name: [4-(2-methylbutoxy)-2-pyrazin-2-ylphenyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] ester Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

InChI

InChI=1S/C28H34N2O3/c1-4-6-7-8-9-22-10-12-23(13-11-22)28(31)33-27-15-14-24(32-20-21(3)5-2)18-25(27)26-19-29-16-17-30-26/h10-19,21H,4-9,20H2,1-3H3