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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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