2-ethoxyethyl (4S)-4-(3-bromophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: 2-ethoxyethyl (4S)-4-(3-bromophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-ethoxyethyl (4S)-4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (4S)-4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(3-bromophenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-ethoxyethyl ester Formula: C23H28BrNO4 MolecularWeight: 462.37672

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)Br)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCOCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC(=CC=C3)Br)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C23H28BrNO4/c1-5-28-9-10-29-22(27)19-14(2)25-17-12-23(3,4)13-18(26)21(17)20(19)15-7-6-8-16(24)11-15/h6-8,11,20,25H,5,9-10,12-13H2,1-4H3/t20-/m1/s1