(phenylmethyl) (5E)-3,3-dimethyl-4-oxidanylidene-5-(pyridin-2-ylmethylidene)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (5E)-3,3-dimethyl-4-oxidanylidene-5-(pyridin-2-ylmethylidene)piperidine-1-carboxylate Openeye Name: benzyl (5E)-3,3-dimethyl-4-oxo-5-(2-pyridylmethylene)piperidine-1-carboxylate CAS Name: (5E)-3,3-dimethyl-4-oxo-5-(2-pyridinylmethylidene)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (5E)-3,3-dimethyl-4-oxo-5-(pyridin-2-ylmethylidene)piperidine-1-carboxylate Traditional Name: (5E)-4-keto-3,3-dimethyl-5-(2-pyridylmethylene)piperidine-1-carboxylic acid benzyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=CC2=CC=CC=N2)C1=O)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1(CN(C/C(=C\C2=CC=CC=N2)/C1=O)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O3/c1-21(2)15-23(20(25)26-14-16-8-4-3-5-9-16)13-17(19(21)24)12-18-10-6-7-11-22-18/h3-12H,13-15H2,1-2H3/b17-12+