[4-(4-cyanophenoxy)carbonylphenyl] 4-heptylbenzoate

Systemtic Name: [4-(4-cyanophenoxy)carbonylphenyl] 4-heptylbenzoate Openeye Name: [4-(4-cyanophenoxy)carbonylphenyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [4-[(4-cyanophenoxy)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-cyanophenoxy)carbonylphenyl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [4-(4-cyanophenoxy)carbonylphenyl] ester Formula: C28H27NO4 MolecularWeight: 441.51828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C28H27NO4/c1-2-3-4-5-6-7-21-8-12-23(13-9-21)27(30)33-26-18-14-24(15-19-26)28(31)32-25-16-10-22(20-29)11-17-25/h8-19H,2-7H2,1H3