pyrazin-2-yl 4-ethoxy-3-(4-heptylphenyl)benzoate

Systemtic Name: pyrazin-2-yl 4-ethoxy-3-(4-heptylphenyl)benzoate Openeye Name: pyrazin-2-yl 4-ethoxy-3-(4-heptylphenyl)benzoate CAS Name: 4-ethoxy-3-(4-heptylphenyl)benzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 4-ethoxy-3-(4-heptylphenyl)benzoate Traditional Name: 4-ethoxy-3-(4-heptylphenyl)benzoic acid pyrazin-2-yl ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC3=NC=CN=C3)OCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC3=NC=CN=C3)OCC

InChI

InChI=1S/C26H30N2O3/c1-3-5-6-7-8-9-20-10-12-21(13-11-20)23-18-22(14-15-24(23)30-4-2)26(29)31-25-19-27-16-17-28-25/h10-19H,3-9H2,1-2H3