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

Systemtic Name: 6-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoic acid Openeye Name: 6-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoic acid CAS Name: 6-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 6-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoic acid Traditional Name: 6-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]hexanoic acid Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO5/c18-15(17-9-3-1-2-4-16(19)20)8-6-12-5-7-13-14(10-12)22-11-21-13/h5-8,10H,1-4,9,11H2,(H,17,18)(H,19,20)/b8-6+