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

Systemtic Name: propyl 4-(3-bromanyl-4-fluoranyl-phenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: propyl 4-(3-bromo-4-fluoro-phenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-bromo-4-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid propyl ester IUPAC Name: propyl 4-(3-bromo-4-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-bromo-4-fluoro-phenyl)-5-keto-7-(2-methoxyphenyl)-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid propyl ester Formula: C27H27BrFNO4 MolecularWeight: 528.409983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC(=C(C=C3)F)Br)C4=CC=CC=C4OC)C

Isomeric SMILES

CCCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC(=C(C=C3)F)Br)C4=CC=CC=C4OC)C

InChI

InChI=1S/C27H27BrFNO4/c1-4-11-34-27(32)24-15(2)30-21-13-17(18-7-5-6-8-23(18)33-3)14-22(31)26(21)25(24)16-9-10-20(29)19(28)12-16/h5-10,12-13,17,25-26,30H,4,11,14H2,1-3H3