[4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl] octan-2-yl carbonate

Systemtic Name: [4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl] octan-2-yl carbonate Openeye Name: [4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl] 1-methylheptyl carbonate CAS Name: carbonic acid [4-[4-(5-hexyl-2-pyrimidinyl)phenyl]phenyl] octan-2-yl ester IUPAC Name: [4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl] octan-2-yl carbonate Traditional Name: carbonic acid [4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl] 1-methylheptyl ester Formula: C31H40N2O3 MolecularWeight: 488.6609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)OC(C)CCCCCC

InChI

InChI=1S/C31H40N2O3/c1-4-6-8-10-12-24(3)35-31(34)36-29-20-18-27(19-21-29)26-14-16-28(17-15-26)30-32-22-25(23-33-30)13-11-9-7-5-2/h14-24H,4-13H2,1-3H3