2-(3-fluoranyl-4-oxidanyl-phenyl)-1-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

Systemtic Name: 2-(3-fluoranyl-4-oxidanyl-phenyl)-1-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Openeye Name: 2-(3-fluoro-4-hydroxy-phenyl)-1-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 2-(3-fluoro-4-hydroxyphenyl)-1-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone IUPAC Name: 2-(3-fluoro-4-hydroxyphenyl)-1-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Traditional Name: 2-(3-fluoro-4-hydroxy-phenyl)-1-[(3S)-3-methylol-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C18H18FNO3 MolecularWeight: 315.338823

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CC3=CC(=C(C=C3)O)F)CO

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)CC3=CC(=C(C=C3)O)F)CO

InChI

InChI=1S/C18H18FNO3/c19-16-7-12(5-6-17(16)22)8-18(23)20-10-14-4-2-1-3-13(14)9-15(20)11-21/h1-7,15,21-22H,8-11H2/t15-/m0/s1