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

Systemtic Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-decyl-2-fluoranyl-benzoate Openeye Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-decyl-2-fluoro-benzoate CAS Name: 4-decyl-2-fluorobenzoic acid [5-[4-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-decyl-2-fluorobenzoate Traditional Name: 4-decyl-2-fluoro-benzoic acid [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C32H41FN2O3 MolecularWeight: 520.677943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

InChI

InChI=1S/C32H41FN2O3/c1-4-6-7-8-9-10-11-12-13-25-14-19-28(29(33)20-25)32(36)38-31-22-34-30(21-35-31)26-15-17-27(18-16-26)37-23-24(3)5-2/h14-22,24H,4-13,23H2,1-3H3