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

Systemtic Name: phenyl (5E)-3,3-dimethyl-4-oxidanylidene-5-(pyridin-2-ylmethylidene)piperidine-1-carboxylate Openeye Name: phenyl (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 phenyl ester IUPAC Name: phenyl (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 phenyl ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=CC2=CC=CC=N2)C1=O)C(=O)OC3=CC=CC=C3)C

Isomeric SMILES

CC1(CN(C/C(=C\C2=CC=CC=N2)/C1=O)C(=O)OC3=CC=CC=C3)C

InChI

InChI=1S/C20H20N2O3/c1-20(2)14-22(19(24)25-17-9-4-3-5-10-17)13-15(18(20)23)12-16-8-6-7-11-21-16/h3-12H,13-14H2,1-2H3/b15-12+