tert-butyl 3,5-dicyano-2-methyl-3-phenyl-pentanoate

Systemtic Name: tert-butyl 3,5-dicyano-2-methyl-3-phenyl-pentanoate Openeye Name: tert-butyl 3,5-dicyano-2-methyl-3-phenyl-pentanoate CAS Name: 3,5-dicyano-2-methyl-3-phenylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 3,5-dicyano-2-methyl-3-phenylpentanoate Traditional Name: 3,5-dicyano-2-methyl-3-phenyl-valeric acid tert-butyl ester Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)C(CCC#N)(C#N)C1=CC=CC=C1

Isomeric SMILES

CC(C(=O)OC(C)(C)C)C(CCC#N)(C#N)C1=CC=CC=C1

InChI

InChI=1S/C18H22N2O2/c1-14(16(21)22-17(2,3)4)18(13-20,11-8-12-19)15-9-6-5-7-10-15/h5-7,9-10,14H,8,11H2,1-4H3