O1-tert-butyl O4-[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-[(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: 1-O-tert-butyl 4-O-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[(1R)-2-(3-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(=C1)C#N)OC(=O)C2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2CCN(CC2)C(=O)OC(C)(C)C

InChI

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