3-chloranylpentyl [4-[4-(5-nonoxypyrimidin-2-yl)phenyl]phenyl] carbonate

Systemtic Name: 3-chloranylpentyl [4-[4-(5-nonoxypyrimidin-2-yl)phenyl]phenyl] carbonate Openeye Name: 3-chloropentyl [4-[4-(5-nonoxypyrimidin-2-yl)phenyl]phenyl] carbonate CAS Name: carbonic acid 3-chloropentyl [4-[4-(5-nonoxy-2-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: 3-chloropentyl [4-[4-(5-nonoxypyrimidin-2-yl)phenyl]phenyl] carbonate Traditional Name: carbonic acid 3-chloropentyl [4-[4-(5-nonoxypyrimidin-2-yl)phenyl]phenyl] ester Formula: C31H39ClN2O4 MolecularWeight: 539.10536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)OCCC(CC)Cl

Isomeric SMILES

CCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)OCCC(CC)Cl

InChI

InChI=1S/C31H39ClN2O4/c1-3-5-6-7-8-9-10-20-36-29-22-33-30(34-23-29)26-13-11-24(12-14-26)25-15-17-28(18-16-25)38-31(35)37-21-19-27(32)4-2/h11-18,22-23,27H,3-10,19-21H2,1-2H3