N-[6-(3-methyl-3-oxidanyl-but-1-ynyl)pyridin-2-yl]-3-octoxy-benzamide

Systemtic Name: N-[6-(3-methyl-3-oxidanyl-but-1-ynyl)pyridin-2-yl]-3-octoxy-benzamide Openeye Name: N-[6-(3-hydroxy-3-methyl-but-1-ynyl)-2-pyridyl]-3-octoxy-benzamide CAS Name: N-[6-(3-hydroxy-3-methylbut-1-ynyl)-2-pyridinyl]-3-octoxybenzamide IUPAC Name: N-[6-(3-hydroxy-3-methylbut-1-ynyl)pyridin-2-yl]-3-octoxybenzamide Traditional Name: N-[6-(3-hydroxy-3-methyl-but-1-ynyl)-2-pyridyl]-3-octoxy-benzamide Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC(=C1)C(=O)NC2=CC=CC(=N2)C#CC(C)(C)O

Isomeric SMILES

CCCCCCCCOC1=CC=CC(=C1)C(=O)NC2=CC=CC(=N2)C#CC(C)(C)O

InChI

InChI=1S/C25H32N2O3/c1-4-5-6-7-8-9-18-30-22-14-10-12-20(19-22)24(28)27-23-15-11-13-21(26-23)16-17-25(2,3)29/h10-15,19,29H,4-9,18H2,1-3H3,(H,26,27,28)