tert-butyl 3-(3-cyanophenyl)pentanoate

Systemtic Name: tert-butyl 3-(3-cyanophenyl)pentanoate Openeye Name: tert-butyl 3-(3-cyanophenyl)pentanoate CAS Name: 3-(3-cyanophenyl)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-cyanophenyl)pentanoate Traditional Name: 3-(3-cyanophenyl)valeric acid tert-butyl ester Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO2/c1-5-13(10-15(18)19-16(2,3)4)14-8-6-7-12(9-14)11-17/h6-9,13H,5,10H2,1-4H3