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

Systemtic Name: pyrazin-2-yl 4-octyl-3-(4-propylphenyl)benzoate Openeye Name: pyrazin-2-yl 4-octyl-3-(4-propylphenyl)benzoate CAS Name: 4-octyl-3-(4-propylphenyl)benzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 4-octyl-3-(4-propylphenyl)benzoate Traditional Name: 4-octyl-3-(4-propylphenyl)benzoic acid pyrazin-2-yl ester Formula: C28H34N2O2 MolecularWeight: 430.58176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)CCC

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)CCC

InChI

InChI=1S/C28H34N2O2/c1-3-5-6-7-8-9-11-23-16-17-25(28(31)32-27-21-29-18-19-30-27)20-26(23)24-14-12-22(10-4-2)13-15-24/h12-21H,3-11H2,1-2H3