(2,2,4-trimethyl-4-phenyl-pentyl) 4-cyano-2,2-dimethyl-pentanoate

Systemtic Name: (2,2,4-trimethyl-4-phenyl-pentyl) 4-cyano-2,2-dimethyl-pentanoate Openeye Name: (2,2,4-trimethyl-4-phenyl-pentyl) 4-cyano-2,2-dimethyl-pentanoate CAS Name: 4-cyano-2,2-dimethylpentanoic acid (2,2,4-trimethyl-4-phenylpentyl) ester IUPAC Name: (2,2,4-trimethyl-4-phenylpentyl) 4-cyano-2,2-dimethylpentanoate Traditional Name: 4-cyano-2,2-dimethyl-valeric acid (2,2,4-trimethyl-4-phenyl-pentyl) ester Formula: C22H33NO2 MolecularWeight: 343.50292

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)C(=O)OCC(C)(C)CC(C)(C)C1=CC=CC=C1)C#N

Isomeric SMILES

CC(CC(C)(C)C(=O)OCC(C)(C)CC(C)(C)C1=CC=CC=C1)C#N

InChI

InChI=1S/C22H33NO2/c1-17(14-23)13-21(4,5)19(24)25-16-20(2,3)15-22(6,7)18-11-9-8-10-12-18/h8-12,17H,13,15-16H2,1-7H3