dimethyl (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)pentanedioate

Systemtic Name: dimethyl (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)pentanedioate Openeye Name: dimethyl (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)pentanedioate CAS Name: (2S)-2-[[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)pentanedioate Traditional Name: (2S)-2-(piperonylcarbamoylamino)glutaric acid dimethyl ester Formula: C16H20N2O7 MolecularWeight: 352.3392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)OC)NC(=O)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

COC(=O)CC[C@@H](C(=O)OC)NC(=O)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H20N2O7/c1-22-14(19)6-4-11(15(20)23-2)18-16(21)17-8-10-3-5-12-13(7-10)25-9-24-12/h3,5,7,11H,4,6,8-9H2,1-2H3,(H2,17,18,21)/t11-/m0/s1