2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-methyl-pentanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NC(=O)C=CC1=CC=CO1

Isomeric SMILES

CCCC(C)(C(=O)O)NC(=O)/C=C/C1=CC=CO1

InChI

InChI=1S/C13H17NO4/c1-3-8-13(2,12(16)17)14-11(15)7-6-10-5-4-9-18-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)(H,16,17)/b7-6+