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

Systemtic Name: pyrazin-2-yl 3-(4-butylphenyl)-4-octyl-benzoate Openeye Name: pyrazin-2-yl 3-(4-butylphenyl)-4-octyl-benzoate CAS Name: 3-(4-butylphenyl)-4-octylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-butylphenyl)-4-octylbenzoate Traditional Name: 3-(4-butylphenyl)-4-octyl-benzoic acid pyrazin-2-yl ester Formula: C29H36N2O2 MolecularWeight: 444.60834

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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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C29H36N2O2/c1-3-5-7-8-9-10-12-24-17-18-26(29(32)33-28-22-30-19-20-31-28)21-27(24)25-15-13-23(14-16-25)11-6-4-2/h13-22H,3-12H2,1-2H3