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

Systemtic Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-ethoxy-2-fluoranyl-benzoate Openeye Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-ethoxy-2-fluoro-benzoate CAS Name: 4-ethoxy-2-fluorobenzoic acid [5-[4-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-ethoxy-2-fluorobenzoate Traditional Name: 4-ethoxy-2-fluoro-benzoic acid [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C24H25FN2O4 MolecularWeight: 424.464703

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC1=CC=C(C=C1)C2=CN=C(C=N2)OC(=O)C3=C(C=C(C=C3)OCC)F

Isomeric SMILES

CCC(C)COC1=CC=C(C=C1)C2=CN=C(C=N2)OC(=O)C3=C(C=C(C=C3)OCC)F

InChI

InChI=1S/C24H25FN2O4/c1-4-16(3)15-30-18-8-6-17(7-9-18)22-13-27-23(14-26-22)31-24(28)20-11-10-19(29-5-2)12-21(20)25/h6-14,16H,4-5,15H2,1-3H3