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

Systemtic Name: tert-butyl 4-[4-(1-cyano-2-ethoxy-2-oxidanylidene-ethylidene)piperidin-1-yl]benzoate Openeye Name: tert-butyl 4-[4-(1-cyano-2-ethoxy-2-oxo-ethylidene)-1-piperidyl]benzoate CAS Name: 4-[4-(1-cyano-2-ethoxy-2-oxoethylidene)-1-piperidinyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidin-1-yl]benzoate Traditional Name: 4-[4-(1-cyano-2-ethoxy-2-keto-ethylidene)piperidino]benzoic acid tert-butyl ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4/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/h6-9H,5,10-13H2,1-4H3