2-(2,2-dimethylpropyl)-3-(hydroxymethyl)-4-(2-methoxyethoxy)isoquinolin-1-one

Systemtic Name: 2-(2,2-dimethylpropyl)-3-(hydroxymethyl)-4-(2-methoxyethoxy)isoquinolin-1-one Openeye Name: 2-(2,2-dimethylpropyl)-3-(hydroxymethyl)-4-(2-methoxyethoxy)isoquinolin-1-one CAS Name: 2-(2,2-dimethylpropyl)-3-(hydroxymethyl)-4-(2-methoxyethoxy)-1-isoquinolinone IUPAC Name: 2-(2,2-dimethylpropyl)-3-(hydroxymethyl)-4-(2-methoxyethoxy)isoquinolin-1-one Traditional Name: 4-(2-methoxyethoxy)-3-methylol-2-neopentyl-isocarbostyril Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(=C(C2=CC=CC=C2C1=O)OCCOC)CO

Isomeric SMILES

CC(C)(C)CN1C(=C(C2=CC=CC=C2C1=O)OCCOC)CO

InChI

InChI=1S/C18H25NO4/c1-18(2,3)12-19-15(11-20)16(23-10-9-22-4)13-7-5-6-8-14(13)17(19)21/h5-8,20H,9-12H2,1-4H3