2-[1-(2-fluoranylbutyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-nonoxy-pyrimidine

Systemtic Name: 2-[1-(2-fluoranylbutyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-nonoxy-pyrimidine Openeye Name: 2-[1-(2-fluorobutyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-nonoxy-pyrimidine CAS Name: 2-[1-(2-fluorobutyl)-4-phenyl-1-cyclohexa-2,5-dienyl]-5-nonoxypyrimidine IUPAC Name: 2-[1-(2-fluorobutyl)-4-phenylcyclohexa-2,5-dien-1-yl]-5-nonoxypyrimidine Traditional Name: 2-[1-(2-fluorobutyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-nonoxy-pyrimidine Formula: C29H39FN2O MolecularWeight: 450.631163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CC(CC)F

Isomeric SMILES

CCCCCCCCCOC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CC(CC)F

InChI

InChI=1S/C29H39FN2O/c1-3-5-6-7-8-9-13-20-33-27-22-31-28(32-23-27)29(21-26(30)4-2)18-16-25(17-19-29)24-14-11-10-12-15-24/h10-12,14-19,22-23,25-26H,3-9,13,20-21H2,1-2H3