2-methoxyethyl (4S)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: 2-methoxyethyl (4S)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-methoxyethyl (4S)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-methoxyethyl ester Formula: C23H28BrNO6 MolecularWeight: 494.37552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCOC)C3=CC(=C(C(=C3)Br)O)OC)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCOC)C3=CC(=C(C(=C3)Br)O)OC)C(=O)CC(C2)(C)C

InChI

InChI=1S/C23H28BrNO6/c1-12-18(22(28)31-7-6-29-4)19(13-8-14(24)21(27)17(9-13)30-5)20-15(25-12)10-23(2,3)11-16(20)26/h8-9,18-19,27H,6-7,10-11H2,1-5H3/t18?,19-/m1/s1