pyrazin-2-yl 3-(4-hexylphenyl)-4-pentyl-benzoate

Systemtic Name: pyrazin-2-yl 3-(4-hexylphenyl)-4-pentyl-benzoate Openeye Name: pyrazin-2-yl 3-(4-hexylphenyl)-4-pentyl-benzoate CAS Name: 3-(4-hexylphenyl)-4-pentylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-hexylphenyl)-4-pentylbenzoate Traditional Name: 4-amyl-3-(4-hexylphenyl)benzoic acid pyrazin-2-yl ester Formula: C28H34N2O2 MolecularWeight: 430.58176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC3=NC=CN=C3)CCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC3=NC=CN=C3)CCCCC

InChI

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