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

Systemtic Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoranyl-4-undecoxy-benzoate Openeye Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoro-4-undecoxy-benzoate CAS Name: 2-fluoro-4-undecoxybenzoic acid [5-[4-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoro-4-undecoxybenzoate Traditional Name: 2-fluoro-4-undecoxy-benzoic acid [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C33H43FN2O4 MolecularWeight: 550.703923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

Isomeric SMILES

CCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

InChI

InChI=1S/C33H43FN2O4/c1-4-6-7-8-9-10-11-12-13-20-38-28-18-19-29(30(34)21-28)33(37)40-32-23-35-31(22-36-32)26-14-16-27(17-15-26)39-24-25(3)5-2/h14-19,21-23,25H,4-13,20,24H2,1-3H3