2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid

Systemtic Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid Openeye Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid CAS Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid Traditional Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]butyric acid Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C(=O)O)NC(=O)/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H15NO5/c1-2-10(14(17)18)15-13(16)6-4-9-3-5-11-12(7-9)20-8-19-11/h3-7,10H,2,8H2,1H3,(H,15,16)(H,17,18)/b6-4+