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

Systemtic Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoranyl-4-hexoxy-benzoate Openeye Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoro-4-hexoxy-benzoate CAS Name: 2-fluoro-4-hexoxybenzoic acid [5-[4-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoro-4-hexoxybenzoate Traditional Name: 2-fluoro-4-hexoxy-benzoic acid [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C28H33FN2O4 MolecularWeight: 480.571023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

Isomeric SMILES

CCCCCCOC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

InChI

InChI=1S/C28H33FN2O4/c1-4-6-7-8-15-33-23-13-14-24(25(29)16-23)28(32)35-27-18-30-26(17-31-27)21-9-11-22(12-10-21)34-19-20(3)5-2/h9-14,16-18,20H,4-8,15,19H2,1-3H3