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

Systemtic Name: (4-cyanophenyl) 3-chloranyl-5-heptyl-pyridine-2-carboxylate Openeye Name: (4-cyanophenyl) 3-chloro-5-heptyl-pyridine-2-carboxylate CAS Name: 3-chloro-5-heptyl-2-pyridinecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3-chloro-5-heptylpyridine-2-carboxylate Traditional Name: 3-chloro-5-heptyl-picolinic acid (4-cyanophenyl) ester Formula: C20H21ClN2O2 MolecularWeight: 356.84594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(N=C1)C(=O)OC2=CC=C(C=C2)C#N)Cl

Isomeric SMILES

CCCCCCCC1=CC(=C(N=C1)C(=O)OC2=CC=C(C=C2)C#N)Cl

InChI

InChI=1S/C20H21ClN2O2/c1-2-3-4-5-6-7-16-12-18(21)19(23-14-16)20(24)25-17-10-8-15(13-22)9-11-17/h8-12,14H,2-7H2,1H3