methyl (4S,7R)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: methyl (4S,7R)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: methyl (4S,7R)-4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S,7R)-4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(6-bromo-1,3-benzodioxol-5-yl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester Formula: C25H22BrNO5 MolecularWeight: 496.34988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC)C3=CC4=C(C=C3Br)OCO4)C(=O)CC(C2)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OC)C3=CC4=C(C=C3Br)OCO4)C(=O)C[C@@H](C2)C5=CC=CC=C5

InChI

InChI=1S/C25H22BrNO5/c1-13-22(25(29)30-2)23(16-10-20-21(11-17(16)26)32-12-31-20)24-18(27-13)8-15(9-19(24)28)14-6-4-3-5-7-14/h3-7,10-11,15,22-23H,8-9,12H2,1-2H3/t15-,22?,23+/m1/s1