O1-tert-butyl O3-[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (3S)-piperidine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (3S)-piperidine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-[(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] (3S)-piperidine-1,3-dicarboxylate CAS Name: (3S)-piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: 1-O-tert-butyl 3-O-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] (3S)-piperidine-1,3-dicarboxylate Traditional Name: (3S)-piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-[(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2CCCN(C2)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)OC(=O)[C@H]2CCCN(C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H27N3O5/c1-14(18(25)23-17-10-6-5-8-15(17)12-22)28-19(26)16-9-7-11-24(13-16)20(27)29-21(2,3)4/h5-6,8,10,14,16H,7,9,11,13H2,1-4H3,(H,23,25)/t14-,16+/m1/s1