O3-[2-(3-acetamido-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl] O1-tert-butyl (3S)-piperidine-1,3-dicarboxylate

Systemtic Name: O3-[2-(3-acetamido-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl] O1-tert-butyl (3S)-piperidine-1,3-dicarboxylate Openeye Name: O3-[2-(3-acetamido-4-hydroxy-phenyl)-2-oxo-ethyl] O1-tert-butyl (3S)-piperidine-1,3-dicarboxylate CAS Name: (3S)-piperidine-1,3-dicarboxylic acid O3-[2-(3-acetamido-4-hydroxyphenyl)-2-oxoethyl] ester O1-tert-butyl ester IUPAC Name: 3-O-[2-(3-acetamido-4-hydroxyphenyl)-2-oxoethyl] 1-O-tert-butyl (3S)-piperidine-1,3-dicarboxylate Traditional Name: (3S)-piperidine-1,3-dicarboxylic acid O3-[2-(3-acetamido-4-hydroxy-phenyl)-2-keto-ethyl] ester O1-tert-butyl ester Formula: C21H28N2O7 MolecularWeight: 420.45622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2CCCN(C2)C(=O)OC(C)(C)C)O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)[C@H]2CCCN(C2)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C21H28N2O7/c1-13(24)22-16-10-14(7-8-17(16)25)18(26)12-29-19(27)15-6-5-9-23(11-15)20(28)30-21(2,3)4/h7-8,10,15,25H,5-6,9,11-12H2,1-4H3,(H,22,24)/t15-/m0/s1