tert-butyl 3-[2-bromanyl-3-cyano-6-(2-phenylmethoxyphenyl)pyridin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[2-bromanyl-3-cyano-6-(2-phenylmethoxyphenyl)pyridin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[6-(2-benzyloxyphenyl)-2-bromo-3-cyano-4-pyridyl]piperidine-1-carboxylate CAS Name: 3-[2-bromo-3-cyano-6-(2-phenylmethoxyphenyl)-4-pyridinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-bromo-3-cyano-6-(2-phenylmethoxyphenyl)pyridin-4-yl]piperidine-1-carboxylate Traditional Name: 3-[6-(2-benzoxyphenyl)-2-bromo-3-cyano-4-pyridyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H30BrN3O3 MolecularWeight: 548.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=NC(=C2C#N)Br)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=NC(=C2C#N)Br)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C29H30BrN3O3/c1-29(2,3)36-28(34)33-15-9-12-21(18-33)23-16-25(32-27(30)24(23)17-31)22-13-7-8-14-26(22)35-19-20-10-5-4-6-11-20/h4-8,10-11,13-14,16,21H,9,12,15,18-19H2,1-3H3