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

Systemtic Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-dodecyl-2-fluoranyl-benzoate Openeye Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-dodecyl-2-fluoro-benzoate CAS Name: 4-dodecyl-2-fluorobenzoic acid [5-[4-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-dodecyl-2-fluorobenzoate Traditional Name: 2-fluoro-4-lauryl-benzoic acid [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C34H45FN2O3 MolecularWeight: 548.731103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

InChI

InChI=1S/C34H45FN2O3/c1-4-6-7-8-9-10-11-12-13-14-15-27-16-21-30(31(35)22-27)34(38)40-33-24-36-32(23-37-33)28-17-19-29(20-18-28)39-25-26(3)5-2/h16-24,26H,4-15,25H2,1-3H3