(2S)-2-[2-(1,3-benzodioxol-5-ylmethyl)prop-2-enoylamino]propanoic acid

Systemtic Name: (2S)-2-[2-(1,3-benzodioxol-5-ylmethyl)prop-2-enoylamino]propanoic acid Openeye Name: (2S)-2-[2-(1,3-benzodioxol-5-ylmethyl)prop-2-enoylamino]propanoic acid CAS Name: (2S)-2-[[2-(1,3-benzodioxol-5-ylmethyl)-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: (2S)-2-[2-(1,3-benzodioxol-5-ylmethyl)prop-2-enoylamino]propanoic acid Traditional Name: (2S)-2-[(2-piperonylacryloyl)amino]propionic acid Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(=C)CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C(=C)CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H15NO5/c1-8(13(16)15-9(2)14(17)18)5-10-3-4-11-12(6-10)20-7-19-11/h3-4,6,9H,1,5,7H2,2H3,(H,15,16)(H,17,18)/t9-/m0/s1