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

Systemtic Name: 5-octyl-2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine Openeye Name: 5-octyl-2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine CAS Name: 5-octyl-2-(1-pentyl-4-phenyl-1-cyclohexa-2,5-dienyl)pyrimidine IUPAC Name: 5-octyl-2-(1-pentyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidine Traditional Name: 2-(1-amyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-5-octyl-pyrimidine Formula: C29H40N2 MolecularWeight: 416.6413

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CCCCC

InChI

InChI=1S/C29H40N2/c1-3-5-7-8-9-11-15-25-23-30-28(31-24-25)29(20-14-6-4-2)21-18-27(19-22-29)26-16-12-10-13-17-26/h10,12-13,16-19,21-24,27H,3-9,11,14-15,20H2,1-2H3