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

Systemtic Name: (4-hexoxyphenyl) 5-(4-octylphenyl)pyrazine-2-carboxylate Openeye Name: (4-hexoxyphenyl) 5-(4-octylphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-octylphenyl)-2-pyrazinecarboxylic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 5-(4-octylphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-octylphenyl)pyrazinic acid (4-hexoxyphenyl) ester Formula: C31H40N2O3 MolecularWeight: 488.6609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=CC=C(C=C3)OCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=CC=C(C=C3)OCCCCCC

InChI

InChI=1S/C31H40N2O3/c1-3-5-7-9-10-11-13-25-14-16-26(17-15-25)29-23-33-30(24-32-29)31(34)36-28-20-18-27(19-21-28)35-22-12-8-6-4-2/h14-21,23-24H,3-13,22H2,1-2H3