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

Systemtic Name: propan-2-yl (4S)-4-(3-bromophenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: isopropyl (4S)-4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4S)-4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(3-bromophenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid isopropyl ester Formula: C22H26BrNO3 MolecularWeight: 432.35074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO3/c1-12(2)27-21(26)18-13(3)24-16-10-22(4,5)11-17(25)20(16)19(18)14-7-6-8-15(23)9-14/h6-9,12,18-19H,10-11H2,1-5H3/t18?,19-/m1/s1