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

Systemtic Name: 5-heptyl-2-(1-octan-2-yloxy-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine Openeye Name: 5-heptyl-2-[1-(1-methylheptoxy)-4-phenyl-cyclohexa-2,5-dien-1-yl]pyrimidine CAS Name: 5-heptyl-2-(1-octan-2-yloxy-4-phenyl-1-cyclohexa-2,5-dienyl)pyrimidine IUPAC Name: 5-heptyl-2-(1-octan-2-yloxy-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidine Traditional Name: 5-heptyl-2-[1-(1-methylheptoxy)-4-phenyl-cyclohexa-2,5-dien-1-yl]pyrimidine Formula: C31H44N2O MolecularWeight: 460.69386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)OC(C)CCCCCC

InChI

InChI=1S/C31H44N2O/c1-4-6-8-10-13-17-27-24-32-30(33-25-27)31(34-26(3)16-12-9-7-5-2)22-20-29(21-23-31)28-18-14-11-15-19-28/h11,14-15,18-26,29H,4-10,12-13,16-17H2,1-3H3