(phenylmethyl) (4R)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: (phenylmethyl) (4R)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: benzyl (4R)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid benzyl ester Formula: C25H24BrNO5 MolecularWeight: 498.36576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC3=CC=CC=C3)C4=CC(=C(C(=C4)Br)O)OC)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OCC3=CC=CC=C3)C4=CC(=C(C(=C4)Br)O)OC)C(=O)CCC2

InChI

InChI=1S/C25H24BrNO5/c1-14-21(25(30)32-13-15-7-4-3-5-8-15)22(23-18(27-14)9-6-10-19(23)28)16-11-17(26)24(29)20(12-16)31-2/h3-5,7-8,11-12,21-22,29H,6,9-10,13H2,1-2H3/t21?,22-/m0/s1