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

Systemtic Name: (4-methoxyphenyl)methyl (4S)-4-(5-bromanyl-2-methoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: (4-methoxyphenyl)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 (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)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 p-anisyl ester Formula: C26H26BrNO5 MolecularWeight: 512.39234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC3=CC=C(C=C3)OC)C4=C(C=CC(=C4)Br)OC)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCC3=CC=C(C=C3)OC)C4=C(C=CC(=C4)Br)OC)C(=O)CCC2

InChI

InChI=1S/C26H26BrNO5/c1-15-23(26(30)33-14-16-7-10-18(31-2)11-8-16)24(19-13-17(27)9-12-22(19)32-3)25-20(28-15)5-4-6-21(25)29/h7-13,23-24H,4-6,14H2,1-3H3/t23?,24-/m1/s1