ethyl (4S)-4-[5-bromanyl-2-(2-methylpropoxy)phenyl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: ethyl (4S)-4-[5-bromanyl-2-(2-methylpropoxy)phenyl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: ethyl (4S)-4-(5-bromo-2-isobutoxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-4-[5-bromo-2-(2-methylpropoxy)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-[5-bromo-2-(2-methylpropoxy)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-4-(5-bromo-2-isobutoxy-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester Formula: C23H28BrNO4 MolecularWeight: 462.37672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CCCC2=O)N=C1C)C3=C(C=CC(=C3)Br)OCC(C)C

Isomeric SMILES

CCOC(=O)C1[C@H](C2=C(CCCC2=O)N=C1C)C3=C(C=CC(=C3)Br)OCC(C)C

InChI

InChI=1S/C23H28BrNO4/c1-5-28-23(27)20-14(4)25-17-7-6-8-18(26)22(17)21(20)16-11-15(24)9-10-19(16)29-12-13(2)3/h9-11,13,20-21H,5-8,12H2,1-4H3/t20?,21-/m1/s1