(phenylmethyl) (1R)-1-[(2R)-5-oxidanylideneoxolan-2-yl]-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) (1R)-1-[(2R)-5-oxidanylideneoxolan-2-yl]-1H-isoquinoline-2-carboxylate Openeye Name: benzyl (1R)-1-[(2R)-5-oxotetrahydrofuran-2-yl]-1H-isoquinoline-2-carboxylate CAS Name: (1R)-1-[(2R)-5-oxo-2-oxolanyl]-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1R)-1-[(2R)-5-oxooxolan-2-yl]-1H-isoquinoline-2-carboxylate Traditional Name: (1R)-1-[(2R)-5-ketotetrahydrofuran-2-yl]-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)OC1C2C3=CC=CC=C3C=CN2C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)O[C@H]1[C@H]2C3=CC=CC=C3C=CN2C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H19NO4/c23-19-11-10-18(26-19)20-17-9-5-4-8-16(17)12-13-22(20)21(24)25-14-15-6-2-1-3-7-15/h1-9,12-13,18,20H,10-11,14H2/t18-,20-/m1/s1