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

Systemtic Name: 2-methoxyethyl (4R)-4-(3-bromophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-methoxyethyl (4R)-4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4R)-4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(3-bromophenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-methoxyethyl ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)Br)C(=O)OCCOC

Isomeric SMILES

CC1=C([C@@H](C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)Br)C(=O)OCCOC

InChI

InChI=1S/C22H26BrNO4/c1-13-18(21(26)28-9-8-27-4)19(14-6-5-7-15(23)10-14)20-16(24-13)11-22(2,3)12-17(20)25/h5-7,10,19,24H,8-9,11-12H2,1-4H3/t19-/m0/s1