tert-butyl (2R,6R)-2-(4-chloranylbutyl)-6-(3,4-dimethoxyphenyl)-4-oxidanylidene-piperidine-1-carboxylate

Systemtic Name: tert-butyl (2R,6R)-2-(4-chloranylbutyl)-6-(3,4-dimethoxyphenyl)-4-oxidanylidene-piperidine-1-carboxylate Openeye Name: tert-butyl (2R,6R)-2-(4-chlorobutyl)-6-(3,4-dimethoxyphenyl)-4-oxo-piperidine-1-carboxylate CAS Name: (2R,6R)-2-(4-chlorobutyl)-6-(3,4-dimethoxyphenyl)-4-oxo-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,6R)-2-(4-chlorobutyl)-6-(3,4-dimethoxyphenyl)-4-oxopiperidine-1-carboxylate Traditional Name: (2R,6R)-2-(4-chlorobutyl)-6-(3,4-dimethoxyphenyl)-4-keto-piperidine-1-carboxylic acid tert-butyl ester Formula: C22H32ClNO5 MolecularWeight: 425.94618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CC(=O)CC1C2=CC(=C(C=C2)OC)OC)CCCCCl

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H](CC(=O)C[C@@H]1C2=CC(=C(C=C2)OC)OC)CCCCCl

InChI

InChI=1S/C22H32ClNO5/c1-22(2,3)29-21(26)24-16(8-6-7-11-23)13-17(25)14-18(24)15-9-10-19(27-4)20(12-15)28-5/h9-10,12,16,18H,6-8,11,13-14H2,1-5H3/t16-,18-/m1/s1