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

Systemtic Name: pyrazin-2-yl 4-hexyl-3-(4-propylphenyl)benzoate Openeye Name: pyrazin-2-yl 4-hexyl-3-(4-propylphenyl)benzoate CAS Name: 4-hexyl-3-(4-propylphenyl)benzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 4-hexyl-3-(4-propylphenyl)benzoate Traditional Name: 4-hexyl-3-(4-propylphenyl)benzoic acid pyrazin-2-yl ester Formula: C26H30N2O2 MolecularWeight: 402.5286

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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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O2/c1-3-5-6-7-9-21-14-15-23(26(29)30-25-19-27-16-17-28-25)18-24(21)22-12-10-20(8-4-2)11-13-22/h10-19H,3-9H2,1-2H3