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

Systemtic Name: (4-octoxyphenyl) 5-(4-hexoxyphenyl)pyrazine-2-carboxylate Openeye Name: (4-octoxyphenyl) 5-(4-hexoxyphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-hexoxyphenyl)-2-pyrazinecarboxylic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 5-(4-hexoxyphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-hexoxyphenyl)pyrazinic acid (4-octoxyphenyl) ester Formula: C31H40N2O4 MolecularWeight: 504.6603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=NC=C(N=C2)C3=CC=C(C=C3)OCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=NC=C(N=C2)C3=CC=C(C=C3)OCCCCCC

InChI

InChI=1S/C31H40N2O4/c1-3-5-7-9-10-12-22-36-27-17-19-28(20-18-27)37-31(34)30-24-32-29(23-33-30)25-13-15-26(16-14-25)35-21-11-8-6-4-2/h13-20,23-24H,3-12,21-22H2,1-2H3