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

Systemtic Name: methyl (4S)-4-(5-bromanyl-2-methoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C19H20BrNO4 MolecularWeight: 406.2704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO4/c1-10-16(19(23)25-3)17(12-9-11(20)7-8-15(12)24-2)18-13(21-10)5-4-6-14(18)22/h7-9,16-17H,4-6H2,1-3H3/t16?,17-/m1/s1