(6-cyanonaphthalen-2-yl) 4-(7-acetyloxyheptyl)benzoate

Systemtic Name: (6-cyanonaphthalen-2-yl) 4-(7-acetyloxyheptyl)benzoate Openeye Name: (6-cyano-2-naphthyl) 4-(7-acetoxyheptyl)benzoate CAS Name: 4-(7-acetyloxyheptyl)benzoic acid (6-cyano-2-naphthalenyl) ester IUPAC Name: (6-cyanonaphthalen-2-yl) 4-(7-acetyloxyheptyl)benzoate Traditional Name: 4-(7-acetoxyheptyl)benzoic acid (6-cyano-2-naphthyl) ester Formula: C27H27NO4 MolecularWeight: 429.50758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C#N

Isomeric SMILES

CC(=O)OCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C#N

InChI

InChI=1S/C27H27NO4/c1-20(29)31-16-6-4-2-3-5-7-21-8-11-23(12-9-21)27(30)32-26-15-14-24-17-22(19-28)10-13-25(24)18-26/h8-15,17-18H,2-7,16H2,1H3