[4-[(4-cyanophenyl)iminomethyl]phenyl] 4-hexylbenzoate

Systemtic Name: [4-[(4-cyanophenyl)iminomethyl]phenyl] 4-hexylbenzoate Openeye Name: [4-[(4-cyanophenyl)iminomethyl]phenyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [4-[(4-cyanophenyl)iminomethyl]phenyl] ester IUPAC Name: [4-[(4-cyanophenyl)iminomethyl]phenyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-[(4-cyanophenyl)iminomethyl]phenyl] ester Formula: C27H26N2O2 MolecularWeight: 410.50754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H26N2O2/c1-2-3-4-5-6-21-7-13-24(14-8-21)27(30)31-26-17-11-23(12-18-26)20-29-25-15-9-22(19-28)10-16-25/h7-18,20H,2-6H2,1H3