4-methylhexyl [2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] carbonate

Systemtic Name: 4-methylhexyl [2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] carbonate Openeye Name: 4-methylhexyl [2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] carbonate CAS Name: carbonic acid 4-methylhexyl [2-[4-(4-octylphenyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: 4-methylhexyl [2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] carbonate Traditional Name: carbonic acid 4-methylhexyl [2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] ester Formula: C32H42N2O3 MolecularWeight: 502.68748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H42N2O3/c1-4-6-7-8-9-10-13-26-14-16-27(17-15-26)28-18-20-29(21-19-28)31-33-23-30(24-34-31)37-32(35)36-22-11-12-25(3)5-2/h14-21,23-25H,4-13,22H2,1-3H3