2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethanoic acid

Systemtic Name: 2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethanoic acid Openeye Name: 2-[[(E)-3-(2,3-dihydrobenzofuran-5-yl)prop-2-enoyl]amino]acetic acid CAS Name: 2-[[(E)-3-(2,3-dihydrobenzofuran-5-yl)-1-oxoprop-2-enyl]amino]acetic acid IUPAC Name: 2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]acetic acid Traditional Name: 2-[[(E)-3-coumaran-5-ylacryloyl]amino]acetic acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C=CC(=O)NCC(=O)O

Isomeric SMILES

C1COC2=C1C=C(C=C2)/C=C/C(=O)NCC(=O)O

InChI

InChI=1S/C13H13NO4/c15-12(14-8-13(16)17)4-2-9-1-3-11-10(7-9)5-6-18-11/h1-4,7H,5-6,8H2,(H,14,15)(H,16,17)/b4-2+