(4-hexoxyphenyl) 5-(4-dodecylphenyl)pyrazine-2-carboxylate

Systemtic Name: (4-hexoxyphenyl) 5-(4-dodecylphenyl)pyrazine-2-carboxylate Openeye Name: (4-hexoxyphenyl) 5-(4-dodecylphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-dodecylphenyl)-2-pyrazinecarboxylic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 5-(4-dodecylphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-laurylphenyl)pyrazinic acid (4-hexoxyphenyl) ester Formula: C35H48N2O3 MolecularWeight: 544.76722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=CC=C(C=C3)OCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=CC=C(C=C3)OCCCCCC

InChI

InChI=1S/C35H48N2O3/c1-3-5-7-9-10-11-12-13-14-15-17-29-18-20-30(21-19-29)33-27-37-34(28-36-33)35(38)40-32-24-22-31(23-25-32)39-26-16-8-6-4-2/h18-25,27-28H,3-17,26H2,1-2H3