(4-cyano-4-heptyl-cyclohexyl) 4-(5-hexoxypyrimidin-2-yl)benzoate

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-hexoxypyrimidin-2-yl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-hexoxypyrimidin-2-yl)benzoate CAS Name: 4-(5-hexoxy-2-pyrimidinyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(5-hexoxypyrimidin-2-yl)benzoate Traditional Name: 4-(5-hexoxypyrimidin-2-yl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C31H43N3O3 MolecularWeight: 505.69142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)OCCCCCC)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)OCCCCCC)C#N

InChI

InChI=1S/C31H43N3O3/c1-3-5-7-9-10-18-31(24-32)19-16-27(17-20-31)37-30(35)26-14-12-25(13-15-26)29-33-22-28(23-34-29)36-21-11-8-6-4-2/h12-15,22-23,27H,3-11,16-21H2,1-2H3