O1-tert-butyl O3-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] piperidine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] piperidine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-[2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] piperidine-1,3-dicarboxylate CAS Name: piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-[2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: 1-O-tert-butyl 3-O-[2-[N-(cyanomethyl)anilino]-2-oxoethyl] piperidine-1,3-dicarboxylate Traditional Name: piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-[2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C21H27N3O5/c1-21(2,3)29-20(27)23-12-7-8-16(14-23)19(26)28-15-18(25)24(13-11-22)17-9-5-4-6-10-17/h4-6,9-10,16H,7-8,12-15H2,1-3H3