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

Systemtic Name: (4-pentylphenyl) 5-(4-propoxyphenyl)pyrazine-2-carboxylate Openeye Name: (4-pentylphenyl) 5-(4-propoxyphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-propoxyphenyl)-2-pyrazinecarboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 5-(4-propoxyphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-propoxyphenyl)pyrazinic acid (4-amylphenyl) ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=NC=C(N=C2)C3=CC=C(C=C3)OCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=NC=C(N=C2)C3=CC=C(C=C3)OCCC

InChI

InChI=1S/C25H28N2O3/c1-3-5-6-7-19-8-12-22(13-9-19)30-25(28)24-18-26-23(17-27-24)20-10-14-21(15-11-20)29-16-4-2/h8-15,17-18H,3-7,16H2,1-2H3