(phenylmethyl) (1R)-4-bromanyl-1-[(2R)-5-oxidanylidene-2H-furan-2-yl]-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) (1R)-4-bromanyl-1-[(2R)-5-oxidanylidene-2H-furan-2-yl]-1H-isoquinoline-2-carboxylate Openeye Name: benzyl (1R)-4-bromo-1-[(2R)-5-oxo-2H-furan-2-yl]-1H-isoquinoline-2-carboxylate CAS Name: (1R)-4-bromo-1-[(2R)-5-oxo-2H-furan-2-yl]-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1R)-4-bromo-1-[(2R)-5-oxo-2H-furan-2-yl]-1H-isoquinoline-2-carboxylate Traditional Name: (1R)-4-bromo-1-[(2R)-5-keto-2H-furan-2-yl]-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C21H16BrNO4 MolecularWeight: 426.26004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C=C(C3=CC=CC=C3C2C4C=CC(=O)O4)Br

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N2C=C(C3=CC=CC=C3[C@@H]2[C@H]4C=CC(=O)O4)Br

InChI

InChI=1S/C21H16BrNO4/c22-17-12-23(21(25)26-13-14-6-2-1-3-7-14)20(18-10-11-19(24)27-18)16-9-5-4-8-15(16)17/h1-12,18,20H,13H2/t18-,20-/m1/s1