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

Systemtic Name: (4-heptoxyphenyl) 5-(4-butoxyphenyl)pyrazine-2-carboxylate Openeye Name: (4-heptoxyphenyl) 5-(4-butoxyphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-butoxyphenyl)-2-pyrazinecarboxylic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 5-(4-butoxyphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-butoxyphenyl)pyrazinic acid (4-heptoxyphenyl) ester Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=NC=C(N=C2)C3=CC=C(C=C3)OCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=NC=C(N=C2)C3=CC=C(C=C3)OCCCC

InChI

InChI=1S/C28H34N2O4/c1-3-5-7-8-9-19-33-24-14-16-25(17-15-24)34-28(31)27-21-29-26(20-30-27)22-10-12-23(13-11-22)32-18-6-4-2/h10-17,20-21H,3-9,18-19H2,1-2H3