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

Systemtic Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-decoxy-2-fluoranyl-benzoate Openeye Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-decoxy-2-fluoro-benzoate CAS Name: 4-decoxy-2-fluorobenzoic acid [5-[4-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-decoxy-2-fluorobenzoate Traditional Name: 4-decoxy-2-fluoro-benzoic acid [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C32H41FN2O4 MolecularWeight: 536.677343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

Isomeric SMILES

CCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

InChI

InChI=1S/C32H41FN2O4/c1-4-6-7-8-9-10-11-12-19-37-27-17-18-28(29(33)20-27)32(36)39-31-22-34-30(21-35-31)25-13-15-26(16-14-25)38-23-24(3)5-2/h13-18,20-22,24H,4-12,19,23H2,1-3H3