[4-(4-cyanophenyl)phenyl] 3,5-dimethylbenzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 3,5-dimethylbenzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C22H17NO2 MolecularWeight: 327.37588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C22H17NO2/c1-15-11-16(2)13-20(12-15)22(24)25-21-9-7-19(8-10-21)18-5-3-17(14-23)4-6-18/h3-13H,1-2H3