2-(1-hexyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-5-(6-methyloctoxy)pyrimidine

Systemtic Name: 2-(1-hexyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-5-(6-methyloctoxy)pyrimidine Openeye Name: 2-(1-hexyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-5-(6-methyloctoxy)pyrimidine CAS Name: 2-(1-hexyl-4-phenyl-1-cyclohexa-2,5-dienyl)-5-(6-methyloctoxy)pyrimidine IUPAC Name: 2-(1-hexyl-4-phenylcyclohexa-2,5-dien-1-yl)-5-(6-methyloctoxy)pyrimidine Traditional Name: 2-(1-hexyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-5-(6-methyloctoxy)pyrimidine Formula: C31H44N2O MolecularWeight: 460.69386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCCCCCC(C)CC

Isomeric SMILES

CCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCCCCCC(C)CC

InChI

InChI=1S/C31H44N2O/c1-4-6-7-13-20-31(21-18-28(19-22-31)27-16-11-8-12-17-27)30-32-24-29(25-33-30)34-23-14-9-10-15-26(3)5-2/h8,11-12,16-19,21-22,24-26,28H,4-7,9-10,13-15,20,23H2,1-3H3