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

Systemtic Name: ethyl (4S)-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4S)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C23H28BrNO5 MolecularWeight: 478.37612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrNO5/c1-6-29-17-9-13(8-14(24)21(17)27)19-18(22(28)30-7-2)12(3)25-15-10-23(4,5)11-16(26)20(15)19/h8-9,19-20,27H,6-7,10-11H2,1-5H3/t19-,20?/m0/s1