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

Systemtic Name: pyrazin-2-yl 3-(4-hexylphenyl)-4-propyl-benzoate Openeye Name: pyrazin-2-yl 3-(4-hexylphenyl)-4-propyl-benzoate CAS Name: 3-(4-hexylphenyl)-4-propylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-hexylphenyl)-4-propylbenzoate Traditional Name: 3-(4-hexylphenyl)-4-propyl-benzoic acid pyrazin-2-yl ester Formula: C26H30N2O2 MolecularWeight: 402.5286

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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)CCC

Isomeric SMILES

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

InChI

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