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

Systemtic Name: 4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-methyl-amino]butanoic acid Openeye Name: 4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-methyl-amino]butanoic acid CAS Name: 4-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-methylamino]butanoic acid IUPAC Name: 4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-methylamino]butanoic acid Traditional Name: 4-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-methyl-amino]butyric acid Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)C=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CN(CCCC(=O)O)C(=O)/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C15H17NO5/c1-16(8-2-3-15(18)19)14(17)7-5-11-4-6-12-13(9-11)21-10-20-12/h4-7,9H,2-3,8,10H2,1H3,(H,18,19)/b7-5+