(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethyl-hexan-1-one

Systemtic Name: (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethyl-hexan-1-one Openeye Name: (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethyl-hexan-1-one CAS Name: (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethyl-1-hexanone IUPAC Name: (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethylhexan-1-one Traditional Name: (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethyl-hexan-1-one Formula: C17H25NO MolecularWeight: 259.3865

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCC2=CC=CC=C2C1

Isomeric SMILES

CCCC[C@H](CC)C(=O)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C17H25NO/c1-3-5-8-14(4-2)17(19)18-12-11-15-9-6-7-10-16(15)13-18/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3/t14-/m0/s1