butyl (4R,4aR)-4-(2-chlorophenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: butyl (4R,4aR)-4-(2-chlorophenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: butyl (4R,4aR)-4-(2-chlorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R,4aR)-4-(2-chlorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4R,4aR)-4-(2-chlorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R,4aR)-4-(2-chlorophenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid butyl ester Formula: C21H24ClNO3 MolecularWeight: 373.87316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(N=C2CCCC(=O)C2C1C3=CC=CC=C3Cl)C

Isomeric SMILES

CCCCOC(=O)C1=C(N=C2CCCC(=O)[C@@H]2[C@H]1C3=CC=CC=C3Cl)C

InChI

InChI=1S/C21H24ClNO3/c1-3-4-12-26-21(25)18-13(2)23-16-10-7-11-17(24)20(16)19(18)14-8-5-6-9-15(14)22/h5-6,8-9,19-20H,3-4,7,10-12H2,1-2H3/t19-,20+/m0/s1