prop-2-enyl (4R)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: prop-2-enyl (4R)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: allyl (4R)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid allyl ester Formula: C23H26BrNO5 MolecularWeight: 476.36024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OCC=C

Isomeric SMILES

CC1=C([C@@H](C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OCC=C

InChI

InChI=1S/C23H26BrNO5/c1-6-7-30-22(28)18-12(2)25-15-10-23(3,4)11-16(26)20(15)19(18)13-8-14(24)21(27)17(9-13)29-5/h6,8-9,19,25,27H,1,7,10-11H2,2-5H3/t19-/m0/s1