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

Systemtic Name: [4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl] 4-methylhexyl carbonate Openeye Name: [4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl] 4-methylhexyl carbonate CAS Name: carbonic acid [4-[4-(5-heptyl-2-pyrimidinyl)phenyl]phenyl] 4-methylhexyl ester IUPAC Name: [4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl] 4-methylhexyl carbonate Traditional Name: carbonic acid [4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl] 4-methylhexyl ester Formula: C31H40N2O3 MolecularWeight: 488.6609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H40N2O3/c1-4-6-7-8-9-12-25-22-32-30(33-23-25)28-15-13-26(14-16-28)27-17-19-29(20-18-27)36-31(34)35-21-10-11-24(3)5-2/h13-20,22-24H,4-12,21H2,1-3H3