(phenylmethyl) (4R)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: (phenylmethyl) (4R)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: benzyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid benzyl ester Formula: C25H22BrNO5 MolecularWeight: 496.34988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC3=CC=CC=C3)C4=CC5=C(C=C4Br)OCO5)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCC3=CC=CC=C3)C4=CC5=C(C=C4Br)OCO5)C(=O)CCC2

InChI

InChI=1S/C25H22BrNO5/c1-14-22(25(29)30-12-15-6-3-2-4-7-15)23(24-18(27-14)8-5-9-19(24)28)16-10-20-21(11-17(16)26)32-13-31-20/h2-4,6-7,10-11,22-23H,5,8-9,12-13H2,1H3/t22?,23-/m1/s1