tert-butyl 3-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-3-cyano-6-(2-phenylmethoxyphenyl)pyridin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-3-cyano-6-(2-phenylmethoxyphenyl)pyridin-4-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[2-(2-amino-2-oxo-ethoxy)-6-(2-benzyloxyphenyl)-3-cyano-4-pyridyl]amino]piperidine-1-carboxylate CAS Name: 3-[[2-(2-amino-2-oxoethoxy)-3-cyano-6-(2-phenylmethoxyphenyl)-4-pyridinyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-(2-amino-2-oxoethoxy)-3-cyano-6-(2-phenylmethoxyphenyl)pyridin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 3-[[2-(2-amino-2-keto-ethoxy)-6-(2-benzoxyphenyl)-3-cyano-4-pyridyl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H35N5O5 MolecularWeight: 557.6401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)NC2=CC(=NC(=C2C#N)OCC(=O)N)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)NC2=CC(=NC(=C2C#N)OCC(=O)N)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C31H35N5O5/c1-31(2,3)41-30(38)36-15-9-12-22(18-36)34-26-16-25(35-29(24(26)17-32)40-20-28(33)37)23-13-7-8-14-27(23)39-19-21-10-5-4-6-11-21/h4-8,10-11,13-14,16,22H,9,12,15,18-20H2,1-3H3,(H2,33,37)(H,34,35)