dimethyl (2S,6R)-4-oxidanylidene-1-prop-2-enyl-2,6-dipyridin-2-yl-piperidine-3,5-dicarboxylate

Systemtic Name: dimethyl (2S,6R)-4-oxidanylidene-1-prop-2-enyl-2,6-dipyridin-2-yl-piperidine-3,5-dicarboxylate Openeye Name: dimethyl (2S,6R)-1-allyl-4-oxo-2,6-bis(2-pyridyl)piperidine-3,5-dicarboxylate CAS Name: (2S,6R)-4-oxo-1-prop-2-enyl-2,6-bis(2-pyridinyl)piperidine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2S,6R)-4-oxo-1-prop-2-enyl-2,6-dipyridin-2-ylpiperidine-3,5-dicarboxylate Traditional Name: (2S,6R)-1-allyl-4-keto-2,6-bis(2-pyridyl)piperidine-3,5-dicarboxylic acid dimethyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(N(C(C(C1=O)C(=O)OC)C2=CC=CC=N2)CC=C)C3=CC=CC=N3

Isomeric SMILES

COC(=O)C1[C@@H](N([C@@H](C(C1=O)C(=O)OC)C2=CC=CC=N2)CC=C)C3=CC=CC=N3

InChI

InChI=1S/C22H23N3O5/c1-4-13-25-18(14-9-5-7-11-23-14)16(21(27)29-2)20(26)17(22(28)30-3)19(25)15-10-6-8-12-24-15/h4-12,16-19H,1,13H2,2-3H3/t16?,17?,18-,19+