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

Systemtic Name: 4-(4-chlorophenyl)-3-(hydroxymethyl)-2-(2-methylpropyl)-6-phenylmethoxy-isoquinolin-1-one Openeye Name: 6-benzyloxy-4-(4-chlorophenyl)-3-(hydroxymethyl)-2-isobutyl-isoquinolin-1-one CAS Name: 4-(4-chlorophenyl)-3-(hydroxymethyl)-2-(2-methylpropyl)-6-phenylmethoxy-1-isoquinolinone IUPAC Name: 4-(4-chlorophenyl)-3-(hydroxymethyl)-2-(2-methylpropyl)-6-phenylmethoxyisoquinolin-1-one Traditional Name: 6-benzoxy-4-(4-chlorophenyl)-2-isobutyl-3-methylol-isocarbostyril Formula: C27H26ClNO3 MolecularWeight: 447.95324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)CO

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)CO

InChI

InChI=1S/C27H26ClNO3/c1-18(2)15-29-25(16-30)26(20-8-10-21(28)11-9-20)24-14-22(12-13-23(24)27(29)31)32-17-19-6-4-3-5-7-19/h3-14,18,30H,15-17H2,1-2H3