tert-butyl 4-[(3E)-3-(1-cyano-2-ethoxy-2-oxidanylidene-ethylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: tert-butyl 4-[(3E)-3-(1-cyano-2-ethoxy-2-oxidanylidene-ethylidene)pyrrolidin-1-yl]benzoate Openeye Name: tert-butyl 4-[(3E)-3-(1-cyano-2-ethoxy-2-oxo-ethylidene)pyrrolidin-1-yl]benzoate CAS Name: 4-[(3E)-3-(1-cyano-2-ethoxy-2-oxoethylidene)-1-pyrrolidinyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3E)-3-(1-cyano-2-ethoxy-2-oxoethylidene)pyrrolidin-1-yl]benzoate Traditional Name: 4-[(3E)-3-(1-cyano-2-ethoxy-2-keto-ethylidene)pyrrolidino]benzoic acid tert-butyl ester Formula: C20H24N2O4 MolecularWeight: 356.41556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1CCN(C1)C2=CC=C(C=C2)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/1\CCN(C1)C2=CC=C(C=C2)C(=O)OC(C)(C)C)/C#N

InChI

InChI=1S/C20H24N2O4/c1-5-25-19(24)17(12-21)15-10-11-22(13-15)16-8-6-14(7-9-16)18(23)26-20(2,3)4/h6-9H,5,10-11,13H2,1-4H3/b17-15+