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

Systemtic Name: pyrazin-2-yl 3-(4-cyanophenyl)-4-octyl-benzoate Openeye Name: pyrazin-2-yl 3-(4-cyanophenyl)-4-octyl-benzoate CAS Name: 3-(4-cyanophenyl)-4-octylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-cyanophenyl)-4-octylbenzoate Traditional Name: 3-(4-cyanophenyl)-4-octyl-benzoic acid pyrazin-2-yl ester Formula: C26H27N3O2 MolecularWeight: 413.51148

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2/c1-2-3-4-5-6-7-8-21-13-14-23(26(30)31-25-19-28-15-16-29-25)17-24(21)22-11-9-20(18-27)10-12-22/h9-17,19H,2-8H2,1H3