5-(6-methyloctyl)-2-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)CCCCCC(C)CC

Isomeric SMILES

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)CCCCCC(C)CC

InChI

InChI=1S/C33H48N2O/c1-4-6-7-8-9-16-25-36-33(23-21-31(22-24-33)30-19-14-11-15-20-30)32-34-26-29(27-35-32)18-13-10-12-17-28(3)5-2/h11,14-15,19-24,26-28,31H,4-10,12-13,16-18,25H2,1-3H3