(6-chloranylpyridin-3-yl) 4-(4-octylphenyl)benzoate

Systemtic Name: (6-chloranylpyridin-3-yl) 4-(4-octylphenyl)benzoate Openeye Name: (6-chloro-3-pyridyl) 4-(4-octylphenyl)benzoate CAS Name: 4-(4-octylphenyl)benzoic acid (6-chloro-3-pyridinyl) ester IUPAC Name: (6-chloropyridin-3-yl) 4-(4-octylphenyl)benzoate Traditional Name: 4-(4-octylphenyl)benzoic acid (6-chloro-3-pyridyl) ester Formula: C26H28ClNO2 MolecularWeight: 421.95902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CN=C(C=C3)Cl

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CN=C(C=C3)Cl

InChI

InChI=1S/C26H28ClNO2/c1-2-3-4-5-6-7-8-20-9-11-21(12-10-20)22-13-15-23(16-14-22)26(29)30-24-17-18-25(27)28-19-24/h9-19H,2-8H2,1H3