hexyl 2-chloranyl-5-(2-methylpyridin-4-yl)pyridine-3-carboxylate

Systemtic Name: hexyl 2-chloranyl-5-(2-methylpyridin-4-yl)pyridine-3-carboxylate Openeye Name: hexyl 2-chloro-5-(2-methyl-4-pyridyl)pyridine-3-carboxylate CAS Name: 2-chloro-5-(2-methyl-4-pyridinyl)-3-pyridinecarboxylic acid hexyl ester IUPAC Name: hexyl 2-chloro-5-(2-methylpyridin-4-yl)pyridine-3-carboxylate Traditional Name: 2-chloro-5-(2-methyl-4-pyridyl)nicotinic acid hexyl ester Formula: C18H21ClN2O2 MolecularWeight: 332.82454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(N=CC(=C1)C2=CC(=NC=C2)C)Cl

Isomeric SMILES

CCCCCCOC(=O)C1=C(N=CC(=C1)C2=CC(=NC=C2)C)Cl

InChI

InChI=1S/C18H21ClN2O2/c1-3-4-5-6-9-23-18(22)16-11-15(12-21-17(16)19)14-7-8-20-13(2)10-14/h7-8,10-12H,3-6,9H2,1-2H3