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

Systemtic Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-butoxy-2-fluoranyl-benzoate Openeye Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-butoxy-2-fluoro-benzoate CAS Name: 4-butoxy-2-fluorobenzoic acid [5-[4-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-butoxy-2-fluorobenzoate Traditional Name: 4-butoxy-2-fluoro-benzoic acid [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C26H29FN2O4 MolecularWeight: 452.517863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

InChI

InChI=1S/C26H29FN2O4/c1-4-6-13-31-21-11-12-22(23(27)14-21)26(30)33-25-16-28-24(15-29-25)19-7-9-20(10-8-19)32-17-18(3)5-2/h7-12,14-16,18H,4-6,13,17H2,1-3H3