4-butoxy-3-(hydroxymethyl)-2-(2-methylpropyl)-6-phenylmethoxy-isoquinolin-1-one

Systemtic Name: 4-butoxy-3-(hydroxymethyl)-2-(2-methylpropyl)-6-phenylmethoxy-isoquinolin-1-one Openeye Name: 6-benzyloxy-4-butoxy-3-(hydroxymethyl)-2-isobutyl-isoquinolin-1-one CAS Name: 4-butoxy-3-(hydroxymethyl)-2-(2-methylpropyl)-6-phenylmethoxy-1-isoquinolinone IUPAC Name: 4-butoxy-3-(hydroxymethyl)-2-(2-methylpropyl)-6-phenylmethoxyisoquinolin-1-one Traditional Name: 6-benzoxy-4-butoxy-2-isobutyl-3-methylol-isocarbostyril Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC(C)C)CO

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC(C)C)CO

InChI

InChI=1S/C25H31NO4/c1-4-5-13-29-24-22-14-20(30-17-19-9-7-6-8-10-19)11-12-21(22)25(28)26(15-18(2)3)23(24)16-27/h6-12,14,18,27H,4-5,13,15-17H2,1-3H3