5-(2-fluoranyloctoxy)-2-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine

Systemtic Name: 5-(2-fluoranyloctoxy)-2-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine Openeye Name: 5-(2-fluorooctoxy)-2-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine CAS Name: 5-(2-fluorooctoxy)-2-(1-hexoxy-4-phenyl-1-cyclohexa-2,5-dienyl)pyrimidine IUPAC Name: 5-(2-fluorooctoxy)-2-(1-hexoxy-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidine Traditional Name: 5-(2-fluorooctoxy)-2-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine Formula: C30H41FN2O2 MolecularWeight: 480.657143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(COC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)OCCCCCC)F

Isomeric SMILES

CCCCCCC(COC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)OCCCCCC)F

InChI

InChI=1S/C30H41FN2O2/c1-3-5-7-12-16-27(31)24-34-28-22-32-29(33-23-28)30(35-21-13-8-6-4-2)19-17-26(18-20-30)25-14-10-9-11-15-25/h9-11,14-15,17-20,22-23,26-27H,3-8,12-13,16,21,24H2,1-2H3