O1-tert-butyl O4-[(1R)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-[(1R)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: 1-O-tert-butyl 4-O-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[(1R)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OC(C2=CC=CC=C2)C(=O)NC(=O)NC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC(=O)NC

InChI

InChI=1S/C21H29N3O6/c1-21(2,3)30-20(28)24-12-10-15(11-13-24)18(26)29-16(14-8-6-5-7-9-14)17(25)23-19(27)22-4/h5-9,15-16H,10-13H2,1-4H3,(H2,22,23,25,27)/t16-/m1/s1