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

Systemtic Name: 2-methoxyethyl 4-(3-bromanyl-4-fluoranyl-phenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C27H27BrFNO5 MolecularWeight: 544.409383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3OC)C4=CC(=C(C=C4)F)Br)C(=O)OCCOC

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3OC)C4=CC(=C(C=C4)F)Br)C(=O)OCCOC

InChI

InChI=1S/C27H27BrFNO5/c1-15-24(27(32)35-11-10-33-2)25(16-8-9-20(29)19(28)12-16)26-21(30-15)13-17(14-22(26)31)18-6-4-5-7-23(18)34-3/h4-9,12-13,17,25-26,30H,10-11,14H2,1-3H3