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

Systemtic Name: methyl (4S,7R)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: methyl (4S,7R)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S,7R)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester Formula: C25H24BrNO5 MolecularWeight: 498.36576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC)C3=CC(=C(C(=C3)Br)O)OC)C(=O)CC(C2)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC)C3=CC(=C(C(=C3)Br)O)OC)C(=O)C[C@@H](C2)C4=CC=CC=C4

InChI

InChI=1S/C25H24BrNO5/c1-13-21(25(30)32-3)22(16-9-17(26)24(29)20(12-16)31-2)23-18(27-13)10-15(11-19(23)28)14-7-5-4-6-8-14/h4-9,12,15,21-22,29H,10-11H2,1-3H3/t15-,21?,22-/m1/s1