O4-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] O1-tert-butyl piperidine-1,4-dicarboxylate

Systemtic Name: O4-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] O1-tert-butyl piperidine-1,4-dicarboxylate Openeye Name: O4-[(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] O1-tert-butyl piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O4-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester O1-tert-butyl ester IUPAC Name: 4-O-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 1-O-tert-butyl piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O4-[(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester O1-tert-butyl ester Formula: C21H28N2O7 MolecularWeight: 420.45622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H28N2O7/c1-13(18(24)22-15-5-6-16-17(11-15)28-12-27-16)29-19(25)14-7-9-23(10-8-14)20(26)30-21(2,3)4/h5-6,11,13-14H,7-10,12H2,1-4H3,(H,22,24)/t13-/m1/s1