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

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

CCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCCCCC(C)CC

Isomeric SMILES

CCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCCCCC(C)CC

InChI

InChI=1S/C27H36N2O/c1-4-16-27(17-14-24(15-18-27)23-12-7-6-8-13-23)26-28-20-25(21-29-26)30-19-10-9-11-22(3)5-2/h6-8,12-15,17-18,20-22,24H,4-5,9-11,16,19H2,1-3H3