[2-(4-cyanophenyl)-2-oxidanylidene-ethyl] 4-heptylbenzoate

Systemtic Name: [2-(4-cyanophenyl)-2-oxidanylidene-ethyl] 4-heptylbenzoate Openeye Name: [2-(4-cyanophenyl)-2-oxo-ethyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [2-(4-cyanophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanophenyl)-2-oxoethyl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [2-(4-cyanophenyl)-2-keto-ethyl] ester Formula: C23H25NO3 MolecularWeight: 363.4495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C23H25NO3/c1-2-3-4-5-6-7-18-8-14-21(15-9-18)23(26)27-17-22(25)20-12-10-19(16-24)11-13-20/h8-15H,2-7,17H2,1H3