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

Systemtic Name: (4-hexoxyphenyl) 5-(4-heptylphenyl)pyrazine-2-carboxylate Openeye Name: (4-hexoxyphenyl) 5-(4-heptylphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-heptylphenyl)-2-pyrazinecarboxylic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 5-(4-heptylphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-heptylphenyl)pyrazinic acid (4-hexoxyphenyl) ester Formula: C30H38N2O3 MolecularWeight: 474.63432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=CC=C(C=C3)OCCCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=CC=C(C=C3)OCCCCCC

InChI

InChI=1S/C30H38N2O3/c1-3-5-7-9-10-12-24-13-15-25(16-14-24)28-22-32-29(23-31-28)30(33)35-27-19-17-26(18-20-27)34-21-11-8-6-4-2/h13-20,22-23H,3-12,21H2,1-2H3