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

Systemtic Name: pyrazin-2-yl 4-ethyl-3-(4-hexylphenyl)benzoate Openeye Name: pyrazin-2-yl 4-ethyl-3-(4-hexylphenyl)benzoate CAS Name: 4-ethyl-3-(4-hexylphenyl)benzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 4-ethyl-3-(4-hexylphenyl)benzoate Traditional Name: 4-ethyl-3-(4-hexylphenyl)benzoic acid pyrazin-2-yl ester Formula: C25H28N2O2 MolecularWeight: 388.50202

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O2/c1-3-5-6-7-8-19-9-11-21(12-10-19)23-17-22(14-13-20(23)4-2)25(28)29-24-18-26-15-16-27-24/h9-18H,3-8H2,1-2H3