tert-butyl 4-[2-(3-cyanophenyl)-3-oxidanylidene-butyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(3-cyanophenyl)-3-oxidanylidene-butyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-cyanophenyl)-3-oxo-butyl]piperidine-1-carboxylate CAS Name: 4-[2-(3-cyanophenyl)-3-oxobutyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-cyanophenyl)-3-oxobutyl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-cyanophenyl)-3-keto-butyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1CCN(CC1)C(=O)OC(C)(C)C)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC(=O)C(CC1CCN(CC1)C(=O)OC(C)(C)C)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H28N2O3/c1-15(24)19(18-7-5-6-17(12-18)14-22)13-16-8-10-23(11-9-16)20(25)26-21(2,3)4/h5-7,12,16,19H,8-11,13H2,1-4H3