ethyl (2R,3R,6E)-6-(2-ethoxy-2-oxidanylidene-ethylidene)-2-methyl-1-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (2R,3R,6E)-6-(2-ethoxy-2-oxidanylidene-ethylidene)-2-methyl-1-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (2R,3R,6E)-1-benzyl-6-(2-ethoxy-2-oxo-ethylidene)-2-methyl-piperidine-3-carboxylate CAS Name: (2R,3R,6E)-6-(2-ethoxy-2-oxoethylidene)-2-methyl-1-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3R,6E)-1-benzyl-6-(2-ethoxy-2-oxoethylidene)-2-methylpiperidine-3-carboxylate Traditional Name: (2R,3R,6E)-1-benzyl-6-(2-ethoxy-2-keto-ethylidene)-2-methyl-nipecotic acid ethyl ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C1CCC(C(N1CC2=CC=CC=C2)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)/C=C/1\CC[C@H]([C@H](N1CC2=CC=CC=C2)C)C(=O)OCC

InChI

InChI=1S/C20H27NO4/c1-4-24-19(22)13-17-11-12-18(20(23)25-5-2)15(3)21(17)14-16-9-7-6-8-10-16/h6-10,13,15,18H,4-5,11-12,14H2,1-3H3/b17-13+/t15-,18-/m1/s1