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

Systemtic Name: (4-octoxyphenyl) 5-(4-pentoxyphenyl)pyrazine-2-carboxylate Openeye Name: (4-octoxyphenyl) 5-(4-pentoxyphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-pentoxyphenyl)-2-pyrazinecarboxylic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 5-(4-pentoxyphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-amoxyphenyl)pyrazinic acid (4-octoxyphenyl) ester Formula: C30H38N2O4 MolecularWeight: 490.63372

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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)OCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C30H38N2O4/c1-3-5-7-8-9-11-21-35-26-16-18-27(19-17-26)36-30(33)29-23-31-28(22-32-29)24-12-14-25(15-13-24)34-20-10-6-4-2/h12-19,22-23H,3-11,20-21H2,1-2H3