(2S,3S)-2-(1,3-benzodioxol-5-ylcarbonylamino)-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-(1,3-benzodioxol-5-ylcarbonylamino)-3-methyl-pentanoate Openeye Name: (2S,3S)-2-(1,3-benzodioxole-5-carbonylamino)-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-(1,3-benzodioxole-5-carbonylamino)-3-methylpentanoate Traditional Name: (2S,3S)-3-methyl-2-(piperonyloylamino)valerate Formula: C14H16NO5- MolecularWeight: 278.28054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-3-8(2)12(14(17)18)15-13(16)9-4-5-10-11(6-9)20-7-19-10/h4-6,8,12H,3,7H2,1-2H3,(H,15,16)(H,17,18)/p-1/t8-,12-/m0/s1