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

Systemtic Name: ethyl 4-heptyl-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 4-heptyl-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-heptyl-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-heptyl-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-heptyl-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C22H35NO3 MolecularWeight: 361.5182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C2=C(CC(CC2=O)(C)C)NC(=C1C(=O)OCC)C

Isomeric SMILES

CCCCCCCC1C2=C(CC(CC2=O)(C)C)NC(=C1C(=O)OCC)C

InChI

InChI=1S/C22H35NO3/c1-6-8-9-10-11-12-16-19(21(25)26-7-2)15(3)23-17-13-22(4,5)14-18(24)20(16)17/h16,23H,6-14H2,1-5H3