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

Systemtic Name: (4-octoxyphenyl) 5-(4-butoxyphenyl)pyrazine-2-carboxylate Openeye Name: (4-octoxyphenyl) 5-(4-butoxyphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-butoxyphenyl)-2-pyrazinecarboxylic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 5-(4-butoxyphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-butoxyphenyl)pyrazinic acid (4-octoxyphenyl) ester Formula: C29H36N2O4 MolecularWeight: 476.60714

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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)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C29H36N2O4/c1-3-5-7-8-9-10-20-34-25-15-17-26(18-16-25)35-29(32)28-22-30-27(21-31-28)23-11-13-24(14-12-23)33-19-6-4-2/h11-18,21-22H,3-10,19-20H2,1-2H3