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

Systemtic Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoranyl-4-octyl-benzoate Openeye Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoro-4-octyl-benzoate CAS Name: 2-fluoro-4-octylbenzoic acid [5-[4-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoro-4-octylbenzoate Traditional Name: 2-fluoro-4-octyl-benzoic acid [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C30H37FN2O3 MolecularWeight: 492.624783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

InChI

InChI=1S/C30H37FN2O3/c1-4-6-7-8-9-10-11-23-12-17-26(27(31)18-23)30(34)36-29-20-32-28(19-33-29)24-13-15-25(16-14-24)35-21-22(3)5-2/h12-20,22H,4-11,21H2,1-3H3