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

Systemtic Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-dodecoxy-2-fluoranyl-benzoate Openeye Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-dodecoxy-2-fluoro-benzoate CAS Name: 4-dodecoxy-2-fluorobenzoic acid [5-[4-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-dodecoxy-2-fluorobenzoate Traditional Name: 2-fluoro-4-lauryloxy-benzoic acid [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C34H45FN2O4 MolecularWeight: 564.730503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=NC=C(N=C2)C3=CC=C(C=C3)OCC(C)CC)F

InChI

InChI=1S/C34H45FN2O4/c1-4-6-7-8-9-10-11-12-13-14-21-39-29-19-20-30(31(35)22-29)34(38)41-33-24-36-32(23-37-33)27-15-17-28(18-16-27)40-25-26(3)5-2/h15-20,22-24,26H,4-14,21,25H2,1-3H3