butyl (4S)-4-[2,3-bis(chloranyl)phenyl]-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: butyl (4S)-4-[2,3-bis(chloranyl)phenyl]-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: butyl (4S)-4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4S)-4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(2,3-dichlorophenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester Formula: C23H27Cl2NO3 MolecularWeight: 436.37138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=C(C(=CC=C3)Cl)Cl

Isomeric SMILES

CCCCOC(=O)C1[C@@H](C2=C(CC(CC2=O)(C)C)N=C1C)C3=C(C(=CC=C3)Cl)Cl

InChI

InChI=1S/C23H27Cl2NO3/c1-5-6-10-29-22(28)18-13(2)26-16-11-23(3,4)12-17(27)20(16)19(18)14-8-7-9-15(24)21(14)25/h7-9,18-19H,5-6,10-12H2,1-4H3/t18?,19-/m0/s1