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

Systemtic Name: prop-2-enyl (4R)-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: allyl (4R)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid allyl ester Formula: C24H28BrNO5 MolecularWeight: 490.38682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C3C(=NC(=C2C(=O)OCC=C)C)CC(CC3=O)(C)C)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@H]2C3C(=NC(=C2C(=O)OCC=C)C)CC(CC3=O)(C)C)Br)O

InChI

InChI=1S/C24H28BrNO5/c1-6-8-31-23(29)19-13(3)26-16-11-24(4,5)12-17(27)21(16)20(19)14-9-15(25)22(28)18(10-14)30-7-2/h6,9-10,20-21,28H,1,7-8,11-12H2,2-5H3/t20-,21?/m1/s1