4-butoxy-2-(2,2-dimethylpropyl)-3-(hydroxymethyl)-6-methyl-isoquinolin-1-one

Systemtic Name: 4-butoxy-2-(2,2-dimethylpropyl)-3-(hydroxymethyl)-6-methyl-isoquinolin-1-one Openeye Name: 4-butoxy-2-(2,2-dimethylpropyl)-3-(hydroxymethyl)-6-methyl-isoquinolin-1-one CAS Name: 4-butoxy-2-(2,2-dimethylpropyl)-3-(hydroxymethyl)-6-methyl-1-isoquinolinone IUPAC Name: 4-butoxy-2-(2,2-dimethylpropyl)-3-(hydroxymethyl)-6-methylisoquinolin-1-one Traditional Name: 4-butoxy-6-methyl-3-methylol-2-neopentyl-isocarbostyril Formula: C20H29NO3 MolecularWeight: 331.44916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C)CC(C)(C)C)CO

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C)CC(C)(C)C)CO

InChI

InChI=1S/C20H29NO3/c1-6-7-10-24-18-16-11-14(2)8-9-15(16)19(23)21(17(18)12-22)13-20(3,4)5/h8-9,11,22H,6-7,10,12-13H2,1-5H3