O1-tert-butyl O4-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: 1-O-tert-butyl 4-O-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C20H24ClN3O5 MolecularWeight: 421.87466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C20H24ClN3O5/c1-20(2,3)29-19(27)24-8-6-13(7-9-24)18(26)28-12-17(25)23-15-5-4-14(11-22)16(21)10-15/h4-5,10,13H,6-9,12H2,1-3H3,(H,23,25)