methyl 2,3,3-tricyano-2-(2,2-diethoxyethyl)-6-oxidanylidene-6-phenyl-hexanoate

Systemtic Name: methyl 2,3,3-tricyano-2-(2,2-diethoxyethyl)-6-oxidanylidene-6-phenyl-hexanoate Openeye Name: methyl 2,3,3-tricyano-2-(2,2-diethoxyethyl)-6-oxo-6-phenyl-hexanoate CAS Name: 2,3,3-tricyano-2-(2,2-diethoxyethyl)-6-oxo-6-phenylhexanoic acid methyl ester IUPAC Name: methyl 2,3,3-tricyano-2-(2,2-diethoxyethyl)-6-oxo-6-phenylhexanoate Traditional Name: 2,3,3-tricyano-2-(2,2-diethoxyethyl)-6-keto-6-phenyl-hexanoic acid methyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(C#N)(C(=O)OC)C(CCC(=O)C1=CC=CC=C1)(C#N)C#N)OCC

Isomeric SMILES

CCOC(CC(C#N)(C(=O)OC)C(CCC(=O)C1=CC=CC=C1)(C#N)C#N)OCC

InChI

InChI=1S/C22H25N3O5/c1-4-29-19(30-5-2)13-22(16-25,20(27)28-3)21(14-23,15-24)12-11-18(26)17-9-7-6-8-10-17/h6-10,19H,4-5,11-13H2,1-3H3