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

Systemtic Name: 4-butoxy-2-(2,2-dimethylpropyl)-6-ethoxy-3-(hydroxymethyl)isoquinolin-1-one Openeye Name: 4-butoxy-2-(2,2-dimethylpropyl)-6-ethoxy-3-(hydroxymethyl)isoquinolin-1-one CAS Name: 4-butoxy-2-(2,2-dimethylpropyl)-6-ethoxy-3-(hydroxymethyl)-1-isoquinolinone IUPAC Name: 4-butoxy-2-(2,2-dimethylpropyl)-6-ethoxy-3-(hydroxymethyl)isoquinolin-1-one Traditional Name: 4-butoxy-6-ethoxy-3-methylol-2-neopentyl-isocarbostyril Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO4/c1-6-8-11-26-19-17-12-15(25-7-2)9-10-16(17)20(24)22(18(19)13-23)14-21(3,4)5/h9-10,12,23H,6-8,11,13-14H2,1-5H3