ethyl 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methyl]-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate hydrochloride

Systemtic Name: ethyl 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methyl]-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate hydrochloride Openeye Name: ethyl 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methyl]-3,3,3-trifluoro-2-hydroxy-propanoate hydrochloride CAS Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropanoate hydrochloride Traditional Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methyl]-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester hydrochloride Formula: C17H21ClF3NO3 MolecularWeight: 379.80175

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=NC(CC2=CC=CC=C21)(C)C)(C(F)(F)F)O.Cl

Isomeric SMILES

CCOC(=O)C(CC1=NC(CC2=CC=CC=C21)(C)C)(C(F)(F)F)O.Cl

InChI

InChI=1S/C17H20F3NO3.ClH/c1-4-24-14(22)16(23,17(18,19)20)10-13-12-8-6-5-7-11(12)9-15(2,3)21-13;/h5-8,23H,4,9-10H2,1-3H3;1H