ethyl (2R)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)butanoate

Systemtic Name: ethyl (2R)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)butanoate Openeye Name: ethyl (2R)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)butanoate CAS Name: (2R)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)butanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)butanoate Traditional Name: (2R)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)butyric acid ethyl ester Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC(CC2=CC=CC=C21)(C)C)C(=O)OCC

Isomeric SMILES

CC[C@H](C1=NC(CC2=CC=CC=C21)(C)C)C(=O)OCC

InChI

InChI=1S/C17H23NO2/c1-5-13(16(19)20-6-2)15-14-10-8-7-9-12(14)11-17(3,4)18-15/h7-10,13H,5-6,11H2,1-4H3/t13-/m1/s1