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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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