tert-butyl 3-[(3-bromanyl-2-oxidanylidene-4-phenylmethoxy-pyridin-1-yl)methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(3-bromanyl-2-oxidanylidene-4-phenylmethoxy-pyridin-1-yl)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(4-benzyloxy-3-bromo-2-oxo-1-pyridyl)methyl]piperidine-1-carboxylate CAS Name: 3-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(3-bromo-2-oxo-4-phenylmethoxypyridin-1-yl)methyl]piperidine-1-carboxylate Traditional Name: 3-[(4-benzoxy-3-bromo-2-keto-1-pyridyl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H29BrN2O4 MolecularWeight: 477.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)CN2C=CC(=C(C2=O)Br)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)CN2C=CC(=C(C2=O)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C23H29BrN2O4/c1-23(2,3)30-22(28)26-12-7-10-18(15-26)14-25-13-11-19(20(24)21(25)27)29-16-17-8-5-4-6-9-17/h4-6,8-9,11,13,18H,7,10,12,14-16H2,1-3H3