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

Systemtic Name: (4-methoxyphenyl)methyl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: (4-methoxyphenyl)methyl 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid p-anisyl ester Formula: C27H28BrNO6 MolecularWeight: 542.41832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C3C(=O)CCC=C3NC(=C2C(=O)OCC4=CC=C(C=C4)OC)C)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C3C(=O)CCC=C3NC(=C2C(=O)OCC4=CC=C(C=C4)OC)C)Br)O

InChI

InChI=1S/C27H28BrNO6/c1-4-34-22-13-17(12-19(28)26(22)31)24-23(15(2)29-20-6-5-7-21(30)25(20)24)27(32)35-14-16-8-10-18(33-3)11-9-16/h6,8-13,24-25,29,31H,4-5,7,14H2,1-3H3