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

Systemtic Name: butan-2-yl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: sec-butyl 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 butan-2-yl ester IUPAC Name: butan-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 sec-butyl ester Formula: C23H28BrNO3 MolecularWeight: 446.37732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC=CC=C3Br)(C)C)C

Isomeric SMILES

CCC(C)OC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC=CC=C3Br)(C)C)C

InChI

InChI=1S/C23H28BrNO3/c1-6-13(2)28-22(27)19-14(3)25-17-11-23(4,5)12-18(26)21(17)20(19)15-9-7-8-10-16(15)24/h7-11,13,20-21,25H,6,12H2,1-5H3