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

Systemtic Name: 4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[(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:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)NCCCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NCCCC(=O)O

InChI

InChI=1S/C14H15NO5/c16-13(15-7-1-2-14(17)18)6-4-10-3-5-11-12(8-10)20-9-19-11/h3-6,8H,1-2,7,9H2,(H,15,16)(H,17,18)/b6-4+