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

Systemtic Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoranyl-4-hexyl-benzoate Openeye Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoro-4-hexyl-benzoate CAS Name: 2-fluoro-4-hexylbenzoic acid [5-[4-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoro-4-hexylbenzoate Traditional Name: 2-fluoro-4-hexyl-benzoic acid [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C28H33FN2O3 MolecularWeight: 464.571623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

InChI

InChI=1S/C28H33FN2O3/c1-4-6-7-8-9-21-10-15-24(25(29)16-21)28(32)34-27-18-30-26(17-31-27)22-11-13-23(14-12-22)33-19-20(3)5-2/h10-18,20H,4-9,19H2,1-3H3