(3-cyano-4-phenyl-phenyl)methyl 2-ethyl-2-methyl-3-oxidanylidene-heptanoate

Systemtic Name: (3-cyano-4-phenyl-phenyl)methyl 2-ethyl-2-methyl-3-oxidanylidene-heptanoate Openeye Name: (3-cyano-4-phenyl-phenyl)methyl 2-ethyl-2-methyl-3-oxo-heptanoate CAS Name: 2-ethyl-2-methyl-3-oxoheptanoic acid (3-cyano-4-phenylphenyl)methyl ester IUPAC Name: (3-cyano-4-phenylphenyl)methyl 2-ethyl-2-methyl-3-oxoheptanoate Traditional Name: 2-ethyl-3-keto-2-methyl-enanthic acid (3-cyano-4-phenyl-benzyl) ester Formula: C24H27NO3 MolecularWeight: 377.47608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(C)(CC)C(=O)OCC1=CC(=C(C=C1)C2=CC=CC=C2)C#N

Isomeric SMILES

CCCCC(=O)C(C)(CC)C(=O)OCC1=CC(=C(C=C1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C24H27NO3/c1-4-6-12-22(26)24(3,5-2)23(27)28-17-18-13-14-21(20(15-18)16-25)19-10-8-7-9-11-19/h7-11,13-15H,4-6,12,17H2,1-3H3