tert-butyl 1-[[3-(4-cyanophenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate

Systemtic Name: tert-butyl 1-[[3-(4-cyanophenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate Openeye Name: tert-butyl 1-[[3-(4-cyanophenyl)-2-oxo-oxazolidin-5-yl]methyl]piperidine-2-carboxylate CAS Name: 1-[[3-(4-cyanophenyl)-2-oxo-5-oxazolidinyl]methyl]-2-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate Traditional Name: 1-[[3-(4-cyanophenyl)-2-keto-oxazolidin-5-yl]methyl]pipecolinic acid tert-butyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCCN1CC2CN(C(=O)O2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCCN1CC2CN(C(=O)O2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H27N3O4/c1-21(2,3)28-19(25)18-6-4-5-11-23(18)13-17-14-24(20(26)27-17)16-9-7-15(12-22)8-10-16/h7-10,17-18H,4-6,11,13-14H2,1-3H3