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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-8(2)12(13(16)17)14-11(15)7-6-10-5-4-9(3)18-10/h4-8,12H,1-3H3,(H,14,15)(H,16,17)/b7-6+