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

Systemtic Name: (4-octoxyphenyl) 5-(4-heptoxyphenyl)pyrazine-2-carboxylate Openeye Name: (4-octoxyphenyl) 5-(4-heptoxyphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-heptoxyphenyl)-2-pyrazinecarboxylic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 5-(4-heptoxyphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-heptoxyphenyl)pyrazinic acid (4-octoxyphenyl) ester Formula: C32H42N2O4 MolecularWeight: 518.68688

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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)OCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C32H42N2O4/c1-3-5-7-9-11-13-23-37-28-18-20-29(21-19-28)38-32(35)31-25-33-30(24-34-31)26-14-16-27(17-15-26)36-22-12-10-8-6-4-2/h14-21,24-25H,3-13,22-23H2,1-2H3