[2-(4-cyanophenyl)-4-octoxy-phenyl] benzoate

Systemtic Name: [2-(4-cyanophenyl)-4-octoxy-phenyl] benzoate Openeye Name: [2-(4-cyanophenyl)-4-octoxy-phenyl] benzoate CAS Name: benzoic acid [2-(4-cyanophenyl)-4-octoxyphenyl] ester IUPAC Name: [2-(4-cyanophenyl)-4-octoxyphenyl] benzoate Traditional Name: benzoic acid [2-(4-cyanophenyl)-4-octoxy-phenyl] ester Formula: C28H29NO3 MolecularWeight: 427.53476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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