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

Systemtic Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoranyl-4-nonoxy-benzoate Openeye Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoro-4-nonoxy-benzoate CAS Name: 2-fluoro-4-nonoxybenzoic acid [5-[4-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoro-4-nonoxybenzoate Traditional Name: 2-fluoro-4-nonoxy-benzoic acid [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C31H39FN2O4 MolecularWeight: 522.650763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

Isomeric SMILES

CCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

InChI

InChI=1S/C31H39FN2O4/c1-4-6-7-8-9-10-11-18-36-26-16-17-27(28(32)19-26)31(35)38-30-21-33-29(20-34-30)24-12-14-25(15-13-24)37-22-23(3)5-2/h12-17,19-21,23H,4-11,18,22H2,1-3H3