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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-pentoxypyrimidin-2-yl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-pentoxypyrimidin-2-yl)benzoate CAS Name: 4-(5-pentoxy-2-pyrimidinyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(5-pentoxypyrimidin-2-yl)benzoate Traditional Name: 4-(5-amoxypyrimidin-2-yl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C30H41N3O3 MolecularWeight: 491.66484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H41N3O3/c1-3-5-7-8-9-17-30(23-31)18-15-26(16-19-30)36-29(34)25-13-11-24(12-14-25)28-32-21-27(22-33-28)35-20-10-6-4-2/h11-14,21-22,26H,3-10,15-20H2,1-2H3