propan-2-yl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: propan-2-yl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: isopropyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(2-bromophenyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid isopropyl ester Formula: C22H26BrNO3 MolecularWeight: 432.35074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=CC=C3Br)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=CC=C3Br)C(=O)OC(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)14-8-6-7-9-15(14)23/h6-10,12,19-20,24H,11H2,1-5H3