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

Systemtic Name: 2-propan-2-yloxyethyl (4S)-4-(5-bromanyl-2-methoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-isopropoxyethyl (4S)-4-(5-bromo-2-methoxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-propan-2-yloxyethyl ester IUPAC Name: 2-propan-2-yloxyethyl (4S)-4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-4-(5-bromo-2-methoxy-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-isopropoxyethyl ester Formula: C23H28BrNO5 MolecularWeight: 478.37612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrNO5/c1-13(2)29-10-11-30-23(27)20-14(3)25-17-6-5-7-18(26)22(17)21(20)16-12-15(24)8-9-19(16)28-4/h8-9,12-13,20-21H,5-7,10-11H2,1-4H3/t20?,21-/m1/s1