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

Systemtic Name: 2-ethoxyethyl (4S)-4-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-ethoxyethyl (4S)-4-(2-bromo-4,5-dimethoxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (4S)-4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-4-(2-bromo-4,5-dimethoxy-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-ethoxyethyl ester Formula: C23H28BrNO6 MolecularWeight: 494.37552

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C1C(C2=C(CCCC2=O)N=C1C)C3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CCOCCOC(=O)C1[C@@H](C2=C(CCCC2=O)N=C1C)C3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C23H28BrNO6/c1-5-30-9-10-31-23(27)20-13(2)25-16-7-6-8-17(26)22(16)21(20)14-11-18(28-3)19(29-4)12-15(14)24/h11-12,20-21H,5-10H2,1-4H3/t20?,21-/m0/s1