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

Systemtic Name: (4-methoxyphenyl)methyl (4R)-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: (4-methoxyphenyl)methyl (4R)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (4R)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-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(=NC(=C2C(=O)OCC4=CC=C(C=C4)OC)C)CCCC3=O)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@H]2C3C(=NC(=C2C(=O)OCC4=CC=C(C=C4)OC)C)CCCC3=O)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/h8-13,24-25,31H,4-7,14H2,1-3H3/t24-,25?/m1/s1