(4-cyanophenyl) 3-chloranyl-5-octoxy-pyridine-2-carboxylate

Systemtic Name: (4-cyanophenyl) 3-chloranyl-5-octoxy-pyridine-2-carboxylate Openeye Name: (4-cyanophenyl) 3-chloro-5-octoxy-pyridine-2-carboxylate CAS Name: 3-chloro-5-octoxy-2-pyridinecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3-chloro-5-octoxypyridine-2-carboxylate Traditional Name: 3-chloro-5-octoxy-picolinic acid (4-cyanophenyl) ester Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(N=C1)C(=O)OC2=CC=C(C=C2)C#N)Cl

Isomeric SMILES

CCCCCCCCOC1=CC(=C(N=C1)C(=O)OC2=CC=C(C=C2)C#N)Cl

InChI

InChI=1S/C21H23ClN2O3/c1-2-3-4-5-6-7-12-26-18-13-19(22)20(24-15-18)21(25)27-17-10-8-16(14-23)9-11-17/h8-11,13,15H,2-7,12H2,1H3