butyl 1-cyano-4-[4-(5-heptylpyrimidin-2-yl)phenyl]cyclohexane-1-carboxylate

Systemtic Name: butyl 1-cyano-4-[4-(5-heptylpyrimidin-2-yl)phenyl]cyclohexane-1-carboxylate Openeye Name: butyl 1-cyano-4-[4-(5-heptylpyrimidin-2-yl)phenyl]cyclohexanecarboxylate CAS Name: 1-cyano-4-[4-(5-heptyl-2-pyrimidinyl)phenyl]-1-cyclohexanecarboxylic acid butyl ester IUPAC Name: butyl 1-cyano-4-[4-(5-heptylpyrimidin-2-yl)phenyl]cyclohexane-1-carboxylate Traditional Name: 1-cyano-4-[4-(5-heptylpyrimidin-2-yl)phenyl]cyclohexanecarboxylic acid butyl ester Formula: C29H39N3O2 MolecularWeight: 461.63886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3CCC(CC3)(C#N)C(=O)OCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3CCC(CC3)(C#N)C(=O)OCCCC

InChI

InChI=1S/C29H39N3O2/c1-3-5-7-8-9-10-23-20-31-27(32-21-23)26-13-11-24(12-14-26)25-15-17-29(22-30,18-16-25)28(33)34-19-6-4-2/h11-14,20-21,25H,3-10,15-19H2,1-2H3