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

Systemtic Name: O1-tert-butyl O4-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] piperidine-1,4-dicarboxylate Openeye Name: O4-[2-(3-acetylanilino)-2-oxo-ethyl] O1-tert-butyl piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O4-[2-(3-acetylanilino)-2-oxoethyl] ester O1-tert-butyl ester IUPAC Name: 4-O-[2-(3-acetylanilino)-2-oxoethyl] 1-O-tert-butyl piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O4-[2-(3-acetylanilino)-2-keto-ethyl] ester O1-tert-butyl ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O6/c1-14(24)16-6-5-7-17(12-16)22-18(25)13-28-19(26)15-8-10-23(11-9-15)20(27)29-21(2,3)4/h5-7,12,15H,8-11,13H2,1-4H3,(H,22,25)