pyrazin-2-yl 4-hexyl-3-(4-hexylphenyl)benzoate

Systemtic Name: pyrazin-2-yl 4-hexyl-3-(4-hexylphenyl)benzoate Openeye Name: pyrazin-2-yl 4-hexyl-3-(4-hexylphenyl)benzoate CAS Name: 4-hexyl-3-(4-hexylphenyl)benzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 4-hexyl-3-(4-hexylphenyl)benzoate Traditional Name: 4-hexyl-3-(4-hexylphenyl)benzoic acid pyrazin-2-yl ester Formula: C29H36N2O2 MolecularWeight: 444.60834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC3=NC=CN=C3)CCCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC3=NC=CN=C3)CCCCCC

InChI

InChI=1S/C29H36N2O2/c1-3-5-7-9-11-23-13-15-25(16-14-23)27-21-26(18-17-24(27)12-10-8-6-4-2)29(32)33-28-22-30-19-20-31-28/h13-22H,3-12H2,1-2H3