1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]phenyl]propan-1-one CAS Name: 1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]phenyl]propan-1-one Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CN2CCC3=CC=CC=C3C2)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(CN2CCC3=CC=CC=C3C2)O

InChI

InChI=1S/C21H25NO3/c1-2-21(24)17-7-9-20(10-8-17)25-15-19(23)14-22-12-11-16-5-3-4-6-18(16)13-22/h3-10,19,23H,2,11-15H2,1H3