tert-butyl 3-(4-chlorophenyl)-2-cyano-pentanoate

Systemtic Name: tert-butyl 3-(4-chlorophenyl)-2-cyano-pentanoate Openeye Name: tert-butyl 3-(4-chlorophenyl)-2-cyano-pentanoate CAS Name: 3-(4-chlorophenyl)-2-cyanopentanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-chlorophenyl)-2-cyanopentanoate Traditional Name: 3-(4-chlorophenyl)-2-cyano-valeric acid tert-butyl ester Formula: C16H20ClNO2 MolecularWeight: 293.7885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClNO2/c1-5-13(11-6-8-12(17)9-7-11)14(10-18)15(19)20-16(2,3)4/h6-9,13-14H,5H2,1-4H3