ethyl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCC)C)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCC)C)Br)O

InChI

InChI=1S/C21H24BrNO5/c1-4-27-16-10-12(9-13(22)20(16)25)18-17(21(26)28-5-2)11(3)23-14-7-6-8-15(24)19(14)18/h9-10,18,23,25H,4-8H2,1-3H3