[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate CAS Name: 4-[(2-oxo-1-pyrrolidinyl)methyl]benzoic acid [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate Traditional Name: 4-[(2-ketopyrrolidino)methyl]benzoic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O6 MolecularWeight: 410.41988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(C=C3)CN4CCCC4=O

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(C=C3)CN4CCCC4=O

InChI

InChI=1S/C22H22N2O6/c1-14(21(26)23-17-8-9-18-19(11-17)29-13-28-18)30-22(27)16-6-4-15(5-7-16)12-24-10-2-3-20(24)25/h4-9,11,14H,2-3,10,12-13H2,1H3,(H,23,26)/t14-/m1/s1