tert-butyl 3-[2-azanyl-6-[2,6-bis(phenylmethoxy)phenyl]-3-cyano-pyridin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[2-azanyl-6-[2,6-bis(phenylmethoxy)phenyl]-3-cyano-pyridin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[2-amino-3-cyano-6-(2,6-dibenzyloxyphenyl)-4-pyridyl]piperidine-1-carboxylate CAS Name: 3-[2-amino-6-[2,6-bis(phenylmethoxy)phenyl]-3-cyano-4-pyridinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-amino-6-[2,6-bis(phenylmethoxy)phenyl]-3-cyanopyridin-4-yl]piperidine-1-carboxylate Traditional Name: 3-[2-amino-3-cyano-6-(2,6-dibenzoxyphenyl)-4-pyridyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C36H38N4O4 MolecularWeight: 590.71132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=NC(=C2C#N)N)C3=C(C=CC=C3OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=NC(=C2C#N)N)C3=C(C=CC=C3OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C36H38N4O4/c1-36(2,3)44-35(41)40-19-11-16-27(22-40)28-20-30(39-34(38)29(28)21-37)33-31(42-23-25-12-6-4-7-13-25)17-10-18-32(33)43-24-26-14-8-5-9-15-26/h4-10,12-15,17-18,20,27H,11,16,19,22-24H2,1-3H3,(H2,38,39)