[5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-ethyl-2-fluoranyl-benzoate

Systemtic Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-ethyl-2-fluoranyl-benzoate Openeye Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-ethyl-2-fluoro-benzoate CAS Name: 4-ethyl-2-fluorobenzoic acid [5-[4-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-ethyl-2-fluorobenzoate Traditional Name: 4-ethyl-2-fluoro-benzoic acid [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C24H25FN2O3 MolecularWeight: 408.465303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

Isomeric SMILES

CCC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

InChI

InChI=1S/C24H25FN2O3/c1-4-16(3)15-29-19-9-7-18(8-10-19)22-13-27-23(14-26-22)30-24(28)20-11-6-17(5-2)12-21(20)25/h6-14,16H,4-5,15H2,1-3H3