2-pyridin-2-ylethyl 4-(4-octylphenyl)benzoate

Systemtic Name: 2-pyridin-2-ylethyl 4-(4-octylphenyl)benzoate Openeye Name: 2-(2-pyridyl)ethyl 4-(4-octylphenyl)benzoate CAS Name: 4-(4-octylphenyl)benzoic acid 2-(2-pyridinyl)ethyl ester IUPAC Name: 2-pyridin-2-ylethyl 4-(4-octylphenyl)benzoate Traditional Name: 4-(4-octylphenyl)benzoic acid 2-(2-pyridyl)ethyl ester Formula: C28H33NO2 MolecularWeight: 415.56712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCCC3=CC=CC=N3

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCCC3=CC=CC=N3

InChI

InChI=1S/C28H33NO2/c1-2-3-4-5-6-7-10-23-12-14-24(15-13-23)25-16-18-26(19-17-25)28(30)31-22-20-27-11-8-9-21-29-27/h8-9,11-19,21H,2-7,10,20,22H2,1H3