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

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

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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)OCCCCC(C)CC

Isomeric SMILES

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

InChI

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