(4-hexylphenyl) 5-(4-dodecoxyphenyl)pyrazine-2-carboxylate

Systemtic Name: (4-hexylphenyl) 5-(4-dodecoxyphenyl)pyrazine-2-carboxylate Openeye Name: (4-hexylphenyl) 5-(4-dodecoxyphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-dodecoxyphenyl)-2-pyrazinecarboxylic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 5-(4-dodecoxyphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-lauryloxyphenyl)pyrazinic acid (4-hexylphenyl) ester Formula: C35H48N2O3 MolecularWeight: 544.76722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=CC=C(C=C3)CCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=CC=C(C=C3)CCCCCC

InChI

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