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[4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-octyl-benzoate

Systemtic Name:	[4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-octyl-benzoate
Openeye Name:	[4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-octyl-benzoate
CAS Name:	3-cyano-4-octylbenzoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester
IUPAC Name:	[4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-octylbenzoate
Traditional Name:	3-cyano-4-octyl-benzoic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester
Formula:	C₃₆H₄₇N₃O₂
MolecularWeight:	553.77728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCCCC)C#N

InChI

InChI=1S/C36H47N3O2/c1-3-5-7-9-11-12-13-15-17-29-27-38-35(39-28-29)31-21-23-34(24-22-31)41-36(40)32-20-19-30(33(25-32)26-37)18-16-14-10-8-6-4-2/h19-25,27-28H,3-18H2,1-2H3

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