pyrazin-2-yl 4-pentyl-3-(4-propylphenyl)benzoate

Systemtic Name: pyrazin-2-yl 4-pentyl-3-(4-propylphenyl)benzoate Openeye Name: pyrazin-2-yl 4-pentyl-3-(4-propylphenyl)benzoate CAS Name: 4-pentyl-3-(4-propylphenyl)benzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 4-pentyl-3-(4-propylphenyl)benzoate Traditional Name: 4-amyl-3-(4-propylphenyl)benzoic acid pyrazin-2-yl ester Formula: C25H28N2O2 MolecularWeight: 388.50202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)CCC

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)CCC

InChI

InChI=1S/C25H28N2O2/c1-3-5-6-8-20-13-14-22(25(28)29-24-18-26-15-16-27-24)17-23(20)21-11-9-19(7-4-2)10-12-21/h9-18H,3-8H2,1-2H3