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

Systemtic Name: 4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[(E)-3-(5-methyl-2-furyl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[(E)-3-(5-methyl-2-furanyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[(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)NCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-9-4-5-10(17-9)6-7-11(14)13-8-2-3-12(15)16/h4-7H,2-3,8H2,1H3,(H,13,14)(H,15,16)/b7-6+