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

Systemtic Name: 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]pentanoic acid Openeye Name: 2-[[(E)-3-(5-methyl-2-furyl)prop-2-enoyl]amino]pentanoic acid CAS Name: 2-[[(E)-3-(5-methyl-2-furanyl)-1-oxoprop-2-enyl]amino]pentanoic acid IUPAC Name: 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]pentanoic acid Traditional Name: 2-[[(E)-3-(5-methyl-2-furyl)acryloyl]amino]valeric acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-3-4-11(13(16)17)14-12(15)8-7-10-6-5-9(2)18-10/h5-8,11H,3-4H2,1-2H3,(H,14,15)(H,16,17)/b8-7+