pyrazin-2-yl 3-(4-butylphenyl)-4-ethoxy-benzoate

Systemtic Name: pyrazin-2-yl 3-(4-butylphenyl)-4-ethoxy-benzoate Openeye Name: pyrazin-2-yl 3-(4-butylphenyl)-4-ethoxy-benzoate CAS Name: 3-(4-butylphenyl)-4-ethoxybenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-butylphenyl)-4-ethoxybenzoate Traditional Name: 3-(4-butylphenyl)-4-ethoxy-benzoic acid pyrazin-2-yl ester Formula: C23H24N2O3 MolecularWeight: 376.44826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC3=NC=CN=C3)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC3=NC=CN=C3)OCC

InChI

InChI=1S/C23H24N2O3/c1-3-5-6-17-7-9-18(10-8-17)20-15-19(11-12-21(20)27-4-2)23(26)28-22-16-24-13-14-25-22/h7-16H,3-6H2,1-2H3