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

Systemtic Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoranyl-4-undecyl-benzoate Openeye Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoro-4-undecyl-benzoate CAS Name: 2-fluoro-4-undecylbenzoic acid [5-[4-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoro-4-undecylbenzoate Traditional Name: 2-fluoro-4-undecyl-benzoic acid [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C33H43FN2O3 MolecularWeight: 534.704523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

Isomeric SMILES

CCCCCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

InChI

InChI=1S/C33H43FN2O3/c1-4-6-7-8-9-10-11-12-13-14-26-15-20-29(30(34)21-26)33(37)39-32-23-35-31(22-36-32)27-16-18-28(19-17-27)38-24-25(3)5-2/h15-23,25H,4-14,24H2,1-3H3