ethyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4S)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=CC=C3)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C21H25NO3/c1-5-25-20(24)17-13(2)22-15-11-21(3,4)12-16(23)19(15)18(17)14-9-7-6-8-10-14/h6-10,18,22H,5,11-12H2,1-4H3/t18-/m1/s1