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

Systemtic Name: 3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]butanoic acid Openeye Name: 3-[[(E)-3-(5-methyl-2-furyl)prop-2-enoyl]amino]butanoic acid CAS Name: 3-[[(E)-3-(5-methyl-2-furanyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]butanoic acid Traditional Name: 3-[[(E)-3-(5-methyl-2-furyl)acryloyl]amino]butyric acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-8(7-12(15)16)13-11(14)6-5-10-4-3-9(2)17-10/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)/b6-5+