2,2,2-tris(chloranyl)ethyl (1R)-4-bromanyl-1-(2-oxidanylidene-2-propan-2-yloxy-ethyl)-1H-isoquinoline-2-carboxylate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl (1R)-4-bromanyl-1-(2-oxidanylidene-2-propan-2-yloxy-ethyl)-1H-isoquinoline-2-carboxylate Openeye Name: 2,2,2-trichloroethyl (1R)-4-bromo-1-(2-isopropoxy-2-oxo-ethyl)-1H-isoquinoline-2-carboxylate CAS Name: (1R)-4-bromo-1-(2-oxo-2-propan-2-yloxyethyl)-1H-isoquinoline-2-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl (1R)-4-bromo-1-(2-oxo-2-propan-2-yloxyethyl)-1H-isoquinoline-2-carboxylate Traditional Name: (1R)-4-bromo-1-(2-isopropoxy-2-keto-ethyl)-1H-isoquinoline-2-carboxylic acid 2,2,2-trichloroethyl ester Formula: C17H17BrCl3NO4 MolecularWeight: 485.58418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC1C2=CC=CC=C2C(=CN1C(=O)OCC(Cl)(Cl)Cl)Br

Isomeric SMILES

CC(C)OC(=O)C[C@@H]1C2=CC=CC=C2C(=CN1C(=O)OCC(Cl)(Cl)Cl)Br

InChI

InChI=1S/C17H17BrCl3NO4/c1-10(2)26-15(23)7-14-12-6-4-3-5-11(12)13(18)8-22(14)16(24)25-9-17(19,20)21/h3-6,8,10,14H,7,9H2,1-2H3/t14-/m1/s1