tert-butyl 4-[4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)piperidin-1-yl]benzoate

Systemtic Name: tert-butyl 4-[4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)piperidin-1-yl]benzoate Openeye Name: tert-butyl 4-[4-(1-cyano-2-ethoxy-2-oxo-ethyl)-1-piperidyl]benzoate CAS Name: 4-[4-(1-cyano-2-ethoxy-2-oxoethyl)-1-piperidinyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(1-cyano-2-ethoxy-2-oxoethyl)piperidin-1-yl]benzoate Traditional Name: 4-[4-(1-cyano-2-ethoxy-2-keto-ethyl)piperidino]benzoic acid tert-butyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1CCN(CC1)C2=CC=C(C=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(C#N)C1CCN(CC1)C2=CC=C(C=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H28N2O4/c1-5-26-20(25)18(14-22)15-10-12-23(13-11-15)17-8-6-16(7-9-17)19(24)27-21(2,3)4/h6-9,15,18H,5,10-13H2,1-4H3