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

Systemtic Name: 2-methylpropyl (4R,7R)-4-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: isobutyl (4R,7R)-4-(2-bromo-4,5-dimethoxy-phenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,7R)-4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4R,7R)-4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,7R)-4-(2-bromo-4,5-dimethoxy-phenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid isobutyl ester Formula: C29H32BrNO5 MolecularWeight: 554.47208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC(C)C)C3=CC(=C(C=C3Br)OC)OC)C(=O)CC(C2)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCC(C)C)C3=CC(=C(C=C3Br)OC)OC)C(=O)C[C@@H](C2)C4=CC=CC=C4

InChI

InChI=1S/C29H32BrNO5/c1-16(2)15-36-29(33)26-17(3)31-22-11-19(18-9-7-6-8-10-18)12-23(32)28(22)27(26)20-13-24(34-4)25(35-5)14-21(20)30/h6-10,13-14,16,19,26-27H,11-12,15H2,1-5H3/t19-,26?,27-/m1/s1