5-octan-2-yloxy-2-(4-phenyl-1-propyl-cyclohexa-2,5-dien-1-yl)pyrimidine

Systemtic Name: 5-octan-2-yloxy-2-(4-phenyl-1-propyl-cyclohexa-2,5-dien-1-yl)pyrimidine Openeye Name: 5-(1-methylheptoxy)-2-(4-phenyl-1-propyl-cyclohexa-2,5-dien-1-yl)pyrimidine CAS Name: 5-octan-2-yloxy-2-(4-phenyl-1-propyl-1-cyclohexa-2,5-dienyl)pyrimidine IUPAC Name: 5-octan-2-yloxy-2-(4-phenyl-1-propylcyclohexa-2,5-dien-1-yl)pyrimidine Traditional Name: 5-(1-methylheptoxy)-2-(4-phenyl-1-propyl-cyclohexa-2,5-dien-1-yl)pyrimidine Formula: C27H36N2O MolecularWeight: 404.58754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CCC

Isomeric SMILES

CCCCCCC(C)OC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CCC

InChI

InChI=1S/C27H36N2O/c1-4-6-7-9-12-22(3)30-25-20-28-26(29-21-25)27(17-5-2)18-15-24(16-19-27)23-13-10-8-11-14-23/h8,10-11,13-16,18-22,24H,4-7,9,12,17H2,1-3H3