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

Systemtic Name: ethyl 4-hexyl-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 4-hexyl-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-hexyl-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hexyl-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-hexyl-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C2=C(CC(CC2=O)(C)C)NC(=C1C(=O)OCC)C

Isomeric SMILES

CCCCCCC1C2=C(CC(CC2=O)(C)C)NC(=C1C(=O)OCC)C

InChI

InChI=1S/C21H33NO3/c1-6-8-9-10-11-15-18(20(24)25-7-2)14(3)22-16-12-21(4,5)13-17(23)19(15)16/h15,22H,6-13H2,1-5H3