(2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-methyl-butanoate

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-methyl-butanoate Openeye Name: (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(piperonylcarbamoylamino)butyrate Formula: C14H17N2O5- MolecularWeight: 293.29518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-8(2)12(13(17)18)16-14(19)15-6-9-3-4-10-11(5-9)21-7-20-10/h3-5,8,12H,6-7H2,1-2H3,(H,17,18)(H2,15,16,19)/p-1/t12-/m0/s1