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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3)C(=O)C(CC2)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3)C(=O)C(CC2)(C)C)C

InChI

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