ethyl 1-cyano-2-oxidanylidene-5-phenyl-3,4-dipropyl-cyclopent-3-ene-1-carboxylate

Systemtic Name: ethyl 1-cyano-2-oxidanylidene-5-phenyl-3,4-dipropyl-cyclopent-3-ene-1-carboxylate Openeye Name: ethyl 1-cyano-2-oxo-5-phenyl-3,4-dipropyl-cyclopent-3-ene-1-carboxylate CAS Name: 1-cyano-2-oxo-5-phenyl-3,4-dipropyl-1-cyclopent-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-2-oxo-5-phenyl-3,4-dipropylcyclopent-3-ene-1-carboxylate Traditional Name: 1-cyano-2-keto-5-phenyl-3,4-dipropyl-cyclopent-3-ene-1-carboxylic acid ethyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)C(C1C2=CC=CC=C2)(C#N)C(=O)OCC)CCC

Isomeric SMILES

CCCC1=C(C(=O)C(C1C2=CC=CC=C2)(C#N)C(=O)OCC)CCC

InChI

InChI=1S/C21H25NO3/c1-4-10-16-17(11-5-2)19(23)21(14-22,20(24)25-6-3)18(16)15-12-8-7-9-13-15/h7-9,12-13,18H,4-6,10-11H2,1-3H3