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

Systemtic Name: methyl 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methyl]-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate hydrochloride Openeye Name: methyl 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 methyl ester hydrochloride IUPAC Name: methyl 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 methyl ester hydrochloride Formula: C16H19ClF3NO3 MolecularWeight: 365.77517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)CC(C(=O)OC)(C(F)(F)F)O)C.Cl

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)CC(C(=O)OC)(C(F)(F)F)O)C.Cl

InChI

InChI=1S/C16H18F3NO3.ClH/c1-14(2)8-10-6-4-5-7-11(10)12(20-14)9-15(22,13(21)23-3)16(17,18)19;/h4-7,22H,8-9H2,1-3H3;1H