cyano 4-octoxy-2-(3-phenylphenyl)benzoate

Systemtic Name: cyano 4-octoxy-2-(3-phenylphenyl)benzoate Openeye Name: cyano 4-octoxy-2-(3-phenylphenyl)benzoate CAS Name: 4-octoxy-2-(3-phenylphenyl)benzoic acid cyano ester IUPAC Name: cyano 4-octoxy-2-(3-phenylphenyl)benzoate Traditional Name: 4-octoxy-2-(3-phenylphenyl)benzoic acid cyano ester Formula: C28H29NO3 MolecularWeight: 427.53476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)C(=O)OC#N)C2=CC=CC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)C(=O)OC#N)C2=CC=CC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H29NO3/c1-2-3-4-5-6-10-18-31-25-16-17-26(28(30)32-21-29)27(20-25)24-15-11-14-23(19-24)22-12-8-7-9-13-22/h7-9,11-17,19-20H,2-6,10,18H2,1H3