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

Systemtic Name: 4-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]-methyl-amino]butanoic acid Openeye Name: 4-[[(E)-3-(2,3-dihydrobenzofuran-5-yl)prop-2-enoyl]-methyl-amino]butanoic acid CAS Name: 4-[[(E)-3-(2,3-dihydrobenzofuran-5-yl)-1-oxoprop-2-enyl]-methylamino]butanoic acid IUPAC Name: 4-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]-methylamino]butanoic acid Traditional Name: 4-[[(E)-3-coumaran-5-ylacryloyl]-methyl-amino]butyric acid Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)C=CC1=CC2=C(C=C1)OCC2

Isomeric SMILES

CN(CCCC(=O)O)C(=O)/C=C/C1=CC2=C(C=C1)OCC2

InChI

InChI=1S/C16H19NO4/c1-17(9-2-3-16(19)20)15(18)7-5-12-4-6-14-13(11-12)8-10-21-14/h4-7,11H,2-3,8-10H2,1H3,(H,19,20)/b7-5+