methyl 2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)methyl]-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate hydrochloride

Systemtic Name: methyl 2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)methyl]-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate hydrochloride Openeye Name: methyl 2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)methyl]-3,3,3-trifluoro-2-hydroxy-propanoate hydrochloride CAS Name: 2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropanoic acid methyl ester hydrochloride IUPAC Name: methyl 2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropanoate hydrochloride Traditional Name: 2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)methyl]-3,3,3-trifluoro-2-hydroxy-propionic acid methyl ester hydrochloride Formula: C18H23ClF3NO5 MolecularWeight: 425.82713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22F3NO5.ClH/c1-16(2)8-10-6-13(25-3)14(26-4)7-11(10)12(22-16)9-17(24,15(23)27-5)18(19,20)21;/h6-7,24H,8-9H2,1-5H3;1H