2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]hexanoic acid

Systemtic Name: 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]hexanoic acid Openeye Name: 2-[[(E)-3-(5-methyl-2-furyl)prop-2-enoyl]amino]hexanoic acid CAS Name: 2-[[(E)-3-(5-methyl-2-furanyl)-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]hexanoic acid Traditional Name: 2-[[(E)-3-(5-methyl-2-furyl)acryloyl]amino]hexanoic acid Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C=CC1=CC=C(O1)C

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)/C=C/C1=CC=C(O1)C

InChI

InChI=1S/C14H19NO4/c1-3-4-5-12(14(17)18)15-13(16)9-8-11-7-6-10(2)19-11/h6-9,12H,3-5H2,1-2H3,(H,15,16)(H,17,18)/b9-8+