ethyl 1-(3,6,6-trimethyl-7-oxidanyl-4-oxidanylidene-cyclohept-2-en-1-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(3,6,6-trimethyl-7-oxidanyl-4-oxidanylidene-cyclohept-2-en-1-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(7-hydroxy-3,6,6-trimethyl-4-oxo-cyclohept-2-en-1-yl)piperidine-4-carboxylate CAS Name: 1-(7-hydroxy-3,6,6-trimethyl-4-oxo-1-cyclohept-2-enyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(7-hydroxy-3,6,6-trimethyl-4-oxocyclohept-2-en-1-yl)piperidine-4-carboxylate Traditional Name: 1-(7-hydroxy-4-keto-3,6,6-trimethyl-cyclohept-2-en-1-yl)isonipecotic acid ethyl ester Formula: C18H29NO4 MolecularWeight: 323.42716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2C=C(C(=O)CC(C2O)(C)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2C=C(C(=O)CC(C2O)(C)C)C

InChI

InChI=1S/C18H29NO4/c1-5-23-17(22)13-6-8-19(9-7-13)14-10-12(2)15(20)11-18(3,4)16(14)21/h10,13-14,16,21H,5-9,11H2,1-4H3