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

Systemtic Name: (4-pentylphenyl) 5-(4-heptoxyphenyl)pyrazine-2-carboxylate Openeye Name: (4-pentylphenyl) 5-(4-heptoxyphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-heptoxyphenyl)-2-pyrazinecarboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 5-(4-heptoxyphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-heptoxyphenyl)pyrazinic acid (4-amylphenyl) ester Formula: C29H36N2O3 MolecularWeight: 460.60774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=CC=C(C=C3)CCCCC

InChI

InChI=1S/C29H36N2O3/c1-3-5-7-8-10-20-33-25-18-14-24(15-19-25)27-21-31-28(22-30-27)29(32)34-26-16-12-23(13-17-26)11-9-6-4-2/h12-19,21-22H,3-11,20H2,1-2H3