(5S)-5-(4-chlorophenyl)-6-methyl-4-oxidanylidene-2-(3-phenoxyphenyl)heptanenitrile

Systemtic Name: (5S)-5-(4-chlorophenyl)-6-methyl-4-oxidanylidene-2-(3-phenoxyphenyl)heptanenitrile Openeye Name: (5S)-5-(4-chlorophenyl)-6-methyl-4-oxo-2-(3-phenoxyphenyl)heptanenitrile CAS Name: (5S)-5-(4-chlorophenyl)-6-methyl-4-oxo-2-(3-phenoxyphenyl)heptanenitrile IUPAC Name: (5S)-5-(4-chlorophenyl)-6-methyl-4-oxo-2-(3-phenoxyphenyl)heptanenitrile Traditional Name: (5S)-5-(4-chlorophenyl)-4-keto-6-methyl-2-(3-phenoxyphenyl)enanthonitrile Formula: C26H24ClNO2 MolecularWeight: 417.92726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)CC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C1=CC=C(C=C1)Cl)C(=O)CC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C26H24ClNO2/c1-18(2)26(19-11-13-22(27)14-12-19)25(29)16-21(17-28)20-7-6-10-24(15-20)30-23-8-4-3-5-9-23/h3-15,18,21,26H,16H2,1-2H3/t21?,26-/m0/s1