2-methylpropyl 4-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-methylpropyl 4-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: isobutyl 4-(2-bromo-4,5-dimethoxy-phenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(2-bromo-4,5-dimethoxy-phenyl)-5-keto-2-methyl-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid isobutyl ester Formula: C29H32BrNO5 MolecularWeight: 554.47208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC(=C(C=C4Br)OC)OC)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC(=C(C=C4Br)OC)OC)C(=O)OCC(C)C

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/h6-11,13-14,16,19,27-28,31H,12,15H2,1-5H3