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

Systemtic Name: 5-(6-methyloctoxy)-2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine Openeye Name: 5-(6-methyloctoxy)-2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine CAS Name: 5-(6-methyloctoxy)-2-(1-octyl-4-phenyl-1-cyclohexa-2,5-dienyl)pyrimidine IUPAC Name: 5-(6-methyloctoxy)-2-(1-octyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidine Traditional Name: 5-(6-methyloctoxy)-2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine Formula: C33H48N2O MolecularWeight: 488.74702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCCCCCC(C)CC

Isomeric SMILES

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCCCCCC(C)CC

InChI

InChI=1S/C33H48N2O/c1-4-6-7-8-9-15-22-33(23-20-30(21-24-33)29-18-13-10-14-19-29)32-34-26-31(27-35-32)36-25-16-11-12-17-28(3)5-2/h10,13-14,18-21,23-24,26-28,30H,4-9,11-12,15-17,22,25H2,1-3H3