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

Systemtic Name: phenethyl (4R)-4-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: phenethyl (4R)-4-(2-bromo-4,5-dimethoxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R)-4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4R)-4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R)-4-(2-bromo-4,5-dimethoxy-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester Formula: C27H28BrNO5 MolecularWeight: 526.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCC3=CC=CC=C3)C4=CC(=C(C=C4Br)OC)OC)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCC3=CC=CC=C3)C4=CC(=C(C=C4Br)OC)OC)C(=O)CCC2

InChI

InChI=1S/C27H28BrNO5/c1-16-24(27(31)34-13-12-17-8-5-4-6-9-17)25(26-20(29-16)10-7-11-21(26)30)18-14-22(32-2)23(33-3)15-19(18)28/h4-6,8-9,14-15,24-25H,7,10-13H2,1-3H3/t24?,25-/m1/s1