(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,4-dimethylphenoxy)butan-2-ol

Systemtic Name: (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,4-dimethylphenoxy)butan-2-ol Openeye Name: (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,4-dimethylphenoxy)butan-2-ol CAS Name: (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,4-dimethylphenoxy)-2-butanol IUPAC Name: (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,4-dimethylphenoxy)butan-2-ol Traditional Name: (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,4-dimethylphenoxy)butan-2-ol Formula: C21H27NO2 MolecularWeight: 325.44458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCC(CN2CCC3=CC=CC=C3C2)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC[C@@H](CN2CCC3=CC=CC=C3C2)O)C

InChI

InChI=1S/C21H27NO2/c1-16-7-8-21(13-17(16)2)24-12-10-20(23)15-22-11-9-18-5-3-4-6-19(18)14-22/h3-8,13,20,23H,9-12,14-15H2,1-2H3/t20-/m0/s1