O1-tert-butyl O4-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-[2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl] piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: 1-O-tert-butyl 4-O-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl] ester Formula: C21H29ClN2O5 MolecularWeight: 424.91836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)COC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)COC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H29ClN2O5/c1-13-10-14(2)18(16(22)11-13)23-17(25)12-28-19(26)15-6-8-24(9-7-15)20(27)29-21(3,4)5/h10-11,15H,6-9,12H2,1-5H3,(H,23,25)