4-methylhexyl [2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] carbonate

Systemtic Name: 4-methylhexyl [2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] carbonate Openeye Name: 4-methylhexyl [2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] carbonate CAS Name: carbonic acid 4-methylhexyl [2-(1-octyl-4-phenyl-1-cyclohexa-2,5-dienyl)-5-pyrimidinyl] ester IUPAC Name: 4-methylhexyl [2-(1-octyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] carbonate Traditional Name: carbonic acid 4-methylhexyl [2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] ester Formula: C32H44N2O3 MolecularWeight: 504.70336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OC(=O)OCCCC(C)CC

Isomeric SMILES

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OC(=O)OCCCC(C)CC

InChI

InChI=1S/C32H44N2O3/c1-4-6-7-8-9-13-20-32(21-18-28(19-22-32)27-16-11-10-12-17-27)30-33-24-29(25-34-30)37-31(35)36-23-14-15-26(3)5-2/h10-12,16-19,21-22,24-26,28H,4-9,13-15,20,23H2,1-3H3