(2S)-2-(1,3-benzodioxol-5-yloxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Openeye Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one CAS Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-butanone IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Traditional Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCC2=CC=CC=C2C1)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC[C@@H](C(=O)N1CCC2=CC=CC=C2C1)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21NO4/c1-2-17(25-16-7-8-18-19(11-16)24-13-23-18)20(22)21-10-9-14-5-3-4-6-15(14)12-21/h3-8,11,17H,2,9-10,12-13H2,1H3/t17-/m0/s1