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

Systemtic Name: ethyl 2,6,6-trimethyl-4-(3-methylphenyl)-5-oxidanylidene-1,4,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 2,6,6-trimethyl-4-(m-tolyl)-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylate CAS Name: 2,6,6-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,6,6-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,6,6-trimethyl-4-(m-tolyl)-1,4,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO3/c1-6-26-21(25)17-14(3)23-16-10-11-22(4,5)20(24)19(16)18(17)15-9-7-8-13(2)12-15/h7-9,12,18,23H,6,10-11H2,1-5H3