4-butoxy-2-(2,2-dimethylpropyl)-3-(hydroxymethyl)-5,6-dimethoxy-isoquinolin-1-one

Systemtic Name: 4-butoxy-2-(2,2-dimethylpropyl)-3-(hydroxymethyl)-5,6-dimethoxy-isoquinolin-1-one Openeye Name: 4-butoxy-2-(2,2-dimethylpropyl)-3-(hydroxymethyl)-5,6-dimethoxy-isoquinolin-1-one CAS Name: 4-butoxy-2-(2,2-dimethylpropyl)-3-(hydroxymethyl)-5,6-dimethoxy-1-isoquinolinone IUPAC Name: 4-butoxy-2-(2,2-dimethylpropyl)-3-(hydroxymethyl)-5,6-dimethoxyisoquinolin-1-one Traditional Name: 4-butoxy-5,6-dimethoxy-3-methylol-2-neopentyl-isocarbostyril Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO5/c1-7-8-11-27-18-15(12-23)22(13-21(2,3)4)20(24)14-9-10-16(25-5)19(26-6)17(14)18/h9-10,23H,7-8,11-13H2,1-6H3