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

Systemtic Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoranyl-4-heptyl-benzoate Openeye Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoro-4-heptyl-benzoate CAS Name: 2-fluoro-4-heptylbenzoic acid [5-[4-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoro-4-heptylbenzoate Traditional Name: 2-fluoro-4-heptyl-benzoic acid [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C29H35FN2O3 MolecularWeight: 478.598203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

InChI

InChI=1S/C29H35FN2O3/c1-4-6-7-8-9-10-22-11-16-25(26(30)17-22)29(33)35-28-19-31-27(18-32-28)23-12-14-24(15-13-23)34-20-21(3)5-2/h11-19,21H,4-10,20H2,1-3H3