(6-cyano-6-pentyl-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-2-yl) 2-methylpyrimidine-5-carboxylate

Systemtic Name: (6-cyano-6-pentyl-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-2-yl) 2-methylpyrimidine-5-carboxylate Openeye Name: (6-cyano-6-pentyl-decalin-2-yl) 2-methylpyrimidine-5-carboxylate CAS Name: 2-methyl-5-pyrimidinecarboxylic acid (6-cyano-6-pentyl-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-2-yl) ester IUPAC Name: (6-cyano-6-pentyl-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-2-yl) 2-methylpyrimidine-5-carboxylate Traditional Name: 2-methylpyrimidine-5-carboxylic acid (6-amyl-6-cyano-decalin-2-yl) ester Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC2CC(CCC2C1)OC(=O)C3=CN=C(N=C3)C)C#N

Isomeric SMILES

CCCCCC1(CCC2CC(CCC2C1)OC(=O)C3=CN=C(N=C3)C)C#N

InChI

InChI=1S/C22H31N3O2/c1-3-4-5-9-22(15-23)10-8-17-11-20(7-6-18(17)12-22)27-21(26)19-13-24-16(2)25-14-19/h13-14,17-18,20H,3-12H2,1-2H3