pentyl (4S)-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: pentyl (4S)-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: pentyl (4S)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid amyl ester Formula: C24H30BrNO5 MolecularWeight: 492.4027

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OCC)C(=O)CCC2)C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC(=C(C(=C3)Br)O)OCC)C(=O)CCC2)C

InChI

InChI=1S/C24H30BrNO5/c1-4-6-7-11-31-24(29)20-14(3)26-17-9-8-10-18(27)22(17)21(20)15-12-16(25)23(28)19(13-15)30-5-2/h12-13,21,26,28H,4-11H2,1-3H3/t21-/m1/s1