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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)CC

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)CC

InChI

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