2-[1-(2-fluoranylbutoxy)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-heptoxy-pyrimidine

Systemtic Name: 2-[1-(2-fluoranylbutoxy)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-heptoxy-pyrimidine Openeye Name: 2-[1-(2-fluorobutoxy)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-heptoxy-pyrimidine CAS Name: 2-[1-(2-fluorobutoxy)-4-phenyl-1-cyclohexa-2,5-dienyl]-5-heptoxypyrimidine IUPAC Name: 2-[1-(2-fluorobutoxy)-4-phenylcyclohexa-2,5-dien-1-yl]-5-heptoxypyrimidine Traditional Name: 2-[1-(2-fluorobutoxy)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-heptoxy-pyrimidine Formula: C27H35FN2O2 MolecularWeight: 438.577403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)OCC(CC)F

Isomeric SMILES

CCCCCCCOC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)OCC(CC)F

InChI

InChI=1S/C27H35FN2O2/c1-3-5-6-7-11-18-31-25-19-29-26(30-20-25)27(32-21-24(28)4-2)16-14-23(15-17-27)22-12-9-8-10-13-22/h8-10,12-17,19-20,23-24H,3-7,11,18,21H2,1-2H3