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

Systemtic Name: butyl (4S,4aR)-2-methyl-5-oxidanylidene-4-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: butyl (4S,4aR)-2-methyl-5-oxo-4-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,4aR)-2-methyl-5-oxo-4-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4S,4aR)-2-methyl-5-oxo-4-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,4aR)-5-keto-2-methyl-4-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid butyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(N=C2CCCC(=O)C2C1C3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3/c1-3-4-13-25-21(24)18-14(2)22-16-11-8-12-17(23)20(16)19(18)15-9-6-5-7-10-15/h5-7,9-10,19-20H,3-4,8,11-13H2,1-2H3/t19-,20+/m0/s1