2-(1-heptan-2-yl-4-phenyl-cyclohexa-2,5-dien-1-yl)-5-pentoxy-pyrimidine

Systemtic Name: 2-(1-heptan-2-yl-4-phenyl-cyclohexa-2,5-dien-1-yl)-5-pentoxy-pyrimidine Openeye Name: 2-[1-(1-methylhexyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-pentoxy-pyrimidine CAS Name: 2-(1-heptan-2-yl-4-phenyl-1-cyclohexa-2,5-dienyl)-5-pentoxypyrimidine IUPAC Name: 2-(1-heptan-2-yl-4-phenylcyclohexa-2,5-dien-1-yl)-5-pentoxypyrimidine Traditional Name: 5-amoxy-2-[1-(1-methylhexyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]pyrimidine Formula: C28H38N2O MolecularWeight: 418.61412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2O/c1-4-6-9-13-23(3)28(18-16-25(17-19-28)24-14-10-8-11-15-24)27-29-21-26(22-30-27)31-20-12-7-5-2/h8,10-11,14-19,21-23,25H,4-7,9,12-13,20H2,1-3H3