[6-(butylamino)-5-cyano-4-methyl-pyridin-2-yl] benzoate

Systemtic Name: [6-(butylamino)-5-cyano-4-methyl-pyridin-2-yl] benzoate Openeye Name: [6-(butylamino)-5-cyano-4-methyl-2-pyridyl] benzoate CAS Name: benzoic acid [6-(butylamino)-5-cyano-4-methyl-2-pyridinyl] ester IUPAC Name: [6-(butylamino)-5-cyano-4-methylpyridin-2-yl] benzoate Traditional Name: benzoic acid [6-(butylamino)-5-cyano-4-methyl-2-pyridyl] ester Formula: C18H19N3O2 MolecularWeight: 309.36236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=N1)OC(=O)C2=CC=CC=C2)C)C#N

Isomeric SMILES

CCCCNC1=C(C(=CC(=N1)OC(=O)C2=CC=CC=C2)C)C#N

InChI

InChI=1S/C18H19N3O2/c1-3-4-10-20-17-15(12-19)13(2)11-16(21-17)23-18(22)14-8-6-5-7-9-14/h5-9,11H,3-4,10H2,1-2H3,(H,20,21)