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

Systemtic Name: 2-methoxyethyl (4S)-4-(3-bromanyl-4-methoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-methoxyethyl (4S)-4-(3-bromo-4-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(3-bromo-4-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-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(3-bromo-4-methoxy-phenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-methoxyethyl ester Formula: C23H28BrNO5 MolecularWeight: 478.37612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrNO5/c1-13-19(22(27)30-9-8-28-4)20(14-6-7-18(29-5)15(24)10-14)21-16(25-13)11-23(2,3)12-17(21)26/h6-7,10,19-20H,8-9,11-12H2,1-5H3/t19?,20-/m1/s1